2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline

C24H17Cl2N — CID 167288755

IUPAC2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
SMILESClc1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1Cl
InChIInChI=1S/C24H17Cl2N/c25-22-12-7-13-23(24(22)26)27(20-10-5-2-6-11-20)21-16-14-19(15-17-21)18-8-3-1-4-9-18/h1-17H
InChIKeySCXFUKHHMLCAOS-UHFFFAOYSA-N
MW390.31 g/mol
LogP8.13
Rot. Bonds4

About 2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline

2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 167288755) has the molecular formula C24H17Cl2N and a molecular weight of 390.31 g/mol. Its IUPAC name is 2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID167288755
Molecular FormulaC24H17Cl2N
Molecular Weight390.31 g/mol
Exact Mass389.07
IUPAC Name2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
SMILESClc1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1Cl
InChIInChI=1S/C24H17Cl2N/c25-22-12-7-13-23(24(22)26)27(20-10-5-2-6-11-20)21-16-14-19(15-17-21)18-8-3-1-4-9-18/h1-17H
InChIKeySCXFUKHHMLCAOS-UHFFFAOYSA-N
XLogP8.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 118220081
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-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline
CID 20558748
N-[4-(4-chlorophenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 16755311
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline (CID 167288755) is 2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline is Clc1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1Cl.
What is the InChIKey of 2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is SCXFUKHHMLCAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N/c25-22-12-7-13-23(24(22)26)27(20-10-5-2-6-11-20)21-16-14-19(15-17-21)18-8-3-1-4-9-18/h1-17H.
What are the key properties of 2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline?
2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 390.31 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167288755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).