1,3-Diphenylisobenzofuran - CAS 5471-63-6

Catalog:	BB028798
Product Name:	1,3-Diphenylisobenzofuran
CAS:	5471-63-6
Synonyms:	1,3-diphenylisobenzofuran; 1,3-diphenyl-2-benzofuran

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1,3-diphenyl-2-benzofuran
Description:	1,3-Diphenylisobenzofuran (CAS# 5471-63-6) is a useful research chemical.
Molecular Weight:	270.32
Molecular Formula:	C20H14O
Canonical SMILES:	C1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=CC=C4
InChI:	InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H
InChI Key:	ZKSVYBRJSMBDMV-UHFFFAOYSA-N
Boiling Point:	437.5 °C at 760 mmHg
Density:	1.141 g/cm³
MDL:	MFCD00005931
LogP:	5.76680

Publication Number	Title	Priority Date
CN-113480551-A	Targeted phenoxazine porphyrin, preparation method and application thereof as triplet photosensitizer	20210816
CN-113499436-A	Molybdenum dioxide photoresponse nano material and preparation method and application thereof	20210723
CN-113332452-A	Co-loaded immune adjuvant and green indocyanine polymer vesicle with triple pH/reduction/temperature stimulation responses, and preparation method and application thereof	20210608
CN-113372904-A	Glutathione response nanoprobe for tumor imaging and targeted cooperative therapy and construction method thereof	20210608
CN-113480469-A	Light-driven fluorescence-enhanced photosensitizer for real-time monitoring of photodynamic therapy process	20210608

PMID	Publication Date	Title	Journal
22712533	20120726	Imidazole functionalized magnesium phthalocyanine photosensitizer: modified photophysics, singlet oxygen generation and photooxidation mechanism	The journal of physical chemistry. A
22832881	20120725	On the reaction of 1,3-diphenylisobenzofuran and (2-iodoethynyl)(phenyl)iodonium triflate. A unique case of oxygen transfer from the Diels-Alder adduct to the diene	Molecules (Basel, Switzerland)
22307051	20120601	Photochemical investigation of the IR absorption bands of molecular oxygen in organic and aqueous environment	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
22481095	20120528	Tetrakis(thiadiazole)porphyrazines. 8. Singlet oxygen production, fluorescence response and liposomal incorporation of tetrakis(thiadiazole)porphyrazine macrocycles [TTDPzM] (M = Mg(II)(H2O), Zn(II), Al(III)Cl, Ga(III)Cl, Cd(II), Cu(II), 2H(I))	Dalton transactions (Cambridge, England : 2003)
22159308	20120214	After-effects of lithium-mediated alumination of 3-iodoanisole: isolation of molecular salt elimination and trapped-benzyne products	Dalton transactions (Cambridge, England : 2003)

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Related Functional Groups

Benzofuran/Benzothiophene

[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[438228-39-8]
Ethyl 2-amino-6-tert-butyl-1-benzothiophene-3-carboxylate
[96334-44-0]
Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
[350997-36-3]
Ethyl 2-amino-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[54574-00-4]
3-4-(diethylamino)-2-ethoxyphenyl-3-(2-methyl-1-octyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone
[142199-90-4]
1(3H)-Isobenzofuranone, 3-[4-(dimethylamino)-2-methylphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-

Complexity:	295
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	270.104465066
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	270.104465066
Rotatable Bond Count:	2
Topological Polar Surface Area:	13.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.6