2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine

C30H21Cl3N2 — CID 134305211

IUPAC2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESClc1cccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(Cl)c3)c2Cl)c1
InChIInChI=1S/C30H21Cl3N2/c31-22-10-7-16-26(20-22)34(24-12-3-1-4-13-24)28-18-9-19-29(30(28)33)35(25-14-5-2-6-15-25)27-17-8-11-23(32)21-27/h1-21H
InChIKeyJYHYNXMAKHTETO-UHFFFAOYSA-N
MW515.87 g/mol
LogP10.59
Rot. Bonds6

About 2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine

2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 134305211) has the molecular formula C30H21Cl3N2 and a molecular weight of 515.87 g/mol. Its IUPAC name is 2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID134305211
Molecular FormulaC30H21Cl3N2
Molecular Weight515.87 g/mol
Exact Mass514.08
IUPAC Name2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESClc1cccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(Cl)c3)c2Cl)c1
InChIInChI=1S/C30H21Cl3N2/c31-22-10-7-16-26(20-22)34(24-12-3-1-4-13-24)28-18-9-19-29(30(28)33)35(25-14-5-2-6-15-25)27-17-8-11-23(32)21-27/h1-21H
InChIKeyJYHYNXMAKHTETO-UHFFFAOYSA-N
XLogP10.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.87
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-N-phenylnaphthalen-1-amine
CID 166960066
2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 155431854
3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 118220081
N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
CID 134198312
2-chloro-3-fluoro-N,N-diphenylaniline
CID 163209826
3-chloro-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(3-chlorophenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900174
2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline
CID 118220078
1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842977
2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
CID 167288755
2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine
CID 146319497
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine (CID 134305211) is 2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine is Clc1cccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(Cl)c3)c2Cl)c1.
What is the InChIKey of 2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is JYHYNXMAKHTETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Cl3N2/c31-22-10-7-16-26(20-22)34(24-12-3-1-4-13-24)28-18-9-19-29(30(28)33)35(25-14-5-2-6-15-25)27-17-8-11-23(32)21-27/h1-21H.
What are the key properties of 2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 515.87 g/mol, XLogP of 10.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 134305211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).