Triptycene - CAS 477-75-8

Catalog:	BB026394
Product Name:	Triptycene
CAS:	477-75-8
Synonyms:	pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene

Technical Data

Patents

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Computed Properties

IUPAC Name:	pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
Description:	Triptycene, an aromatic hydrocarbon, is commonly used in some reactions as a molecular scaffold for its rigid structure.
Molecular Weight:	254.33
Molecular Formula:	C20H14
Canonical SMILES:	C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=CC=CC=C35
InChI:	InChI=1S/C20H14/c1-2-8-14-13(7-1)19-15-9-3-5-11-17(15)20(14)18-12-6-4-10-16(18)19/h1-12,19-20H
InChI Key:	NGDCLPXRKSWRPY-UHFFFAOYSA-N
Boiling Point:	371.8 ℃ at 760 mmHg
Melting Point:	252-256 ℃
Density:	1.197 g/cm³
Appearance:	White solid
LogP:	4.67380

Publication Number	Title	Priority Date
CN-113501776-A	Near-infrared luminous free radical cation compound and preparation and application thereof	20210630
CN-113045734-A	Cationized super-crosslinked polymer organic porous nanosphere and hybrid anion exchange membrane thereof	20210324
CN-112940047-A	Tripleene carbene palladium pyridine complex and application thereof	20210226
CN-112979714-A	Triplecene carbene tridentate metal complex and application thereof	20210226
CN-112961039-A	Tripleeneyne compound and low-voltage PDLC (polymer dispersed liquid crystal) composition	20210219

PMID	Publication Date	Title	Journal
23044486	20121121	Complexation between triptycene-based macrotricyclic host and π-extended viologens: formation of supramolecular poly[3]pseudorotaxanes	Chemical communications (Cambridge, England)
23044918	20121121	Triptycene based luminescent metal-organic gels for chemosensing	Chemical communications (Cambridge, England)
23030690	20121019	Synthesis, structures, and solid state self-assemblies of formyl and acetyl substituted triptycenes and their derivatives	The Journal of organic chemistry
22847697	20120915	Isomeric differentiation of polycyclic aromatic hydrocarbons using silver nitrate reactive desorption electrospray ionization mass spectrometry	Rapid communications in mass spectrometry : RCM
22751622	20120821	A C2-symmetric, basic Fe(III) carboxylate complex derived from a novel triptycene-based chelating carboxylate ligand	Dalton transactions (Cambridge, England : 2003)

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Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.109550447
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	254.109550447
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8