3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

C30H22Cl2N2 — CID 118220081

IUPAC3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESClc1cccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)c1Cl
InChIInChI=1S/C30H22Cl2N2/c31-28-20-11-21-29(30(28)32)34(25-16-8-3-9-17-25)27-19-10-18-26(22-27)33(23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-22H
InChIKeyXWYOJIVRIWZEAU-UHFFFAOYSA-N
MW481.43 g/mol
LogP9.93
Rot. Bonds6

About 3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (PubChem CID 118220081) has the molecular formula C30H22Cl2N2 and a molecular weight of 481.43 g/mol. Its IUPAC name is 3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
PubChem CID118220081
Molecular FormulaC30H22Cl2N2
Molecular Weight481.43 g/mol
Exact Mass480.12
IUPAC Name3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESClc1cccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)c1Cl
InChIInChI=1S/C30H22Cl2N2/c31-28-20-11-21-29(30(28)32)34(25-16-8-3-9-17-25)27-19-10-18-26(22-27)33(23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-22H
InChIKeyXWYOJIVRIWZEAU-UHFFFAOYSA-N
XLogP9.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
CID 167288755
2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline
CID 163574767
2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 134305211
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
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline
CID 118220078
2-chloro-3-fluoro-N,N-diphenylaniline
CID 163209826
N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine
CID 164801756
3-N-(4-tert-butylphenyl)-3-N-(2,3-dichloro-5-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 169041454
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
2-chloro-1-N,3-N-diphenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 118220371

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (CID 118220081) is 3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is Clc1cccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)c1Cl.
What is the InChIKey of 3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The InChIKey is XWYOJIVRIWZEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl2N2/c31-28-20-11-21-29(30(28)32)34(25-16-8-3-9-17-25)27-19-10-18-26(22-27)33(23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-22H.
What are the key properties of 3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine has a molecular weight of 481.43 g/mol, XLogP of 9.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 118220081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).