3,8-Diamino-6-phenylphenanthridine - CAS 52009-64-0

Catalog:	BB027680
Product Name:	3,8-Diamino-6-phenylphenanthridine
CAS:	52009-64-0
Synonyms:	6-phenylphenanthridine-3,8-diamine; 6-phenylphenanthridine-3,8-diamine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	6-phenylphenanthridine-3,8-diamine
Description:	3,8-Diamino-6-phenylphenanthridine (CAS# 52009-64-0) is a compound useful in organic synthesis.
Molecular Weight:	285.34
Molecular Formula:	C19H15N3
Canonical SMILES:	C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=N2)N)N
InChI:	InChI=1S/C19H15N3/c20-13-6-8-15-16-9-7-14(21)11-18(16)22-19(17(15)10-13)12-4-2-1-3-5-12/h1-11H,20-21H2
InChI Key:	CPNAVTYCORRLMH-UHFFFAOYSA-N
Boiling Point:	558 °C at 760 mmHg
Density:	1.292 g/cm³
MDL:	MFCD00075152
LogP:	5.38180

Publication Number	Title	Priority Date
WO-2021034834-A1	Compositions for sunscreen compounds and methods thereof	20190818
WO-2020203110-A1	Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and diamine	20190329
TW-202104559-A	Liquid crystal alignment agent, liquid crystal alignment film, liquid crystal display element and diamine	20190329
CN-210155495-U	Electrophoretic display	20190315
WO-2020186879-A1	Dual-mode electrophoretic display	20190315

PMID	Publication Date	Title	Journal
18666767	20080821	Influence of long-chain aliphatic dopants on the spectroscopic properties of polyketimine containing 3,8-diamino-6-phenylphenanthridine and ethylene linkage in the main chain. Noncovalent interaction: proton transfer, hydrogen and halogen bonding	The journal of physical chemistry. A
17499017	20080201	Synthesis and characterization of polyketanils with 3,8-diamino-6-phenylphenanthridine moieties exhibiting light emitting properties molecular and supramolecular engineering concept	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
17388497	20070405	The effect of charge on the volume change of DNA binding with intercalator DAPP	The journal of physical chemistry. B
16294358	20051216	Binding of cationic and neutral phenanthridine intercalators to a DNA oligomer is controlled by dispersion energy: quantum chemical calculations and molecular mechanics simulations	Chemistry (Weinheim an der Bergstrasse, Germany)
16852030	20050512	Enhanced luminescence of phenyl-phenanthridine dye on aggregated small silver nanoparticles	The journal of physical chemistry. B

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	379
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.126597491
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	285.126597491
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7