2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine

C24H19ClN2 — CID 162515867

IUPAC2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine
SMILESClc1c(Nc2ccccc2)cc(-c2ccccc2)cc1Nc1ccccc1
InChIInChI=1S/C24H19ClN2/c25-24-22(26-20-12-6-2-7-13-20)16-19(18-10-4-1-5-11-18)17-23(24)27-21-14-8-3-9-15-21/h1-17,26-27H
InChIKeyKIOVTGBGJREGLX-UHFFFAOYSA-N
MW370.88 g/mol
LogP7.49
Rot. Bonds5

About 2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine

2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine (PubChem CID 162515867) has the molecular formula C24H19ClN2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine
PubChem CID162515867
Molecular FormulaC24H19ClN2
Molecular Weight370.88 g/mol
Exact Mass370.12
IUPAC Name2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine
SMILESClc1c(Nc2ccccc2)cc(-c2ccccc2)cc1Nc1ccccc1
InChIInChI=1S/C24H19ClN2/c25-24-22(26-20-12-6-2-7-13-20)16-19(18-10-4-1-5-11-18)17-23(24)27-21-14-8-3-9-15-21/h1-17,26-27H
InChIKeyKIOVTGBGJREGLX-UHFFFAOYSA-N
XLogP7.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-bis(4-tert-butylphenyl)-2-chloro-5-phenylbenzene-1,3-diamine
CID 155425008
2,3-dimethyl-N,5-diphenylaniline
CID 174892862
2,3-dichloro-N-(4-phenylphenyl)aniline
CID 162720595
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
benzene;N,2-diphenylaniline
CID 175029921
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158558488
1,2,3-trichloro-5-(4-phenylphenyl)benzene
CID 71394428
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118907736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine?
The IUPAC name of 2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine (CID 162515867) is 2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine.
What is the SMILES notation for 2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine?
The canonical SMILES for 2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine is Clc1c(Nc2ccccc2)cc(-c2ccccc2)cc1Nc1ccccc1.
What is the InChIKey of 2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine?
The InChIKey is KIOVTGBGJREGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2/c25-24-22(26-20-12-6-2-7-13-20)16-19(18-10-4-1-5-11-18)17-23(24)27-21-14-8-3-9-15-21/h1-17,26-27H.
What are the key properties of 2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine?
2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine has a molecular weight of 370.88 g/mol, XLogP of 7.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 162515867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).