2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline

C36H24Cl4N2 — CID 20558748

IUPAC2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline
SMILESClc1ccccc1N(c1ccc(-c2ccc(N(c3ccccc3Cl)c3ccccc3Cl)cc2)cc1)c1ccccc1Cl
InChIInChI=1S/C36H24Cl4N2/c37-29-9-1-5-13-33(29)41(34-14-6-2-10-30(34)38)27-21-17-25(18-22-27)26-19-23-28(24-20-26)42(35-15-7-3-11-31(35)39)36-16-8-4-12-32(36)40/h1-24H
InChIKeyOZVNJOJRWXBVRO-UHFFFAOYSA-N
MW626.41 g/mol
LogP12.91
Rot. Bonds7

About 2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline

2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline (PubChem CID 20558748) has the molecular formula C36H24Cl4N2 and a molecular weight of 626.41 g/mol. Its IUPAC name is 2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline
PubChem CID20558748
Molecular FormulaC36H24Cl4N2
Molecular Weight626.41 g/mol
Exact Mass624.07
IUPAC Name2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline
SMILESClc1ccccc1N(c1ccc(-c2ccc(N(c3ccccc3Cl)c3ccccc3Cl)cc2)cc1)c1ccccc1Cl
InChIInChI=1S/C36H24Cl4N2/c37-29-9-1-5-13-33(29)41(34-14-6-2-10-30(34)38)27-21-17-25(18-22-27)26-19-23-28(24-20-26)42(35-15-7-3-11-31(35)39)36-16-8-4-12-32(36)40/h1-24H
InChIKeyOZVNJOJRWXBVRO-UHFFFAOYSA-N
XLogP12.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.41
LogP ≤ 512.91
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
N-(2-chlorophenyl)-N-phenylnaphthalen-1-amine
CID 138519823
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 139422504
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline?
The IUPAC name of 2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline (CID 20558748) is 2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline.
What is the SMILES notation for 2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline?
The canonical SMILES for 2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline is Clc1ccccc1N(c1ccc(-c2ccc(N(c3ccccc3Cl)c3ccccc3Cl)cc2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline?
The InChIKey is OZVNJOJRWXBVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24Cl4N2/c37-29-9-1-5-13-33(29)41(34-14-6-2-10-30(34)38)27-21-17-25(18-22-27)26-19-23-28(24-20-26)42(35-15-7-3-11-31(35)39)36-16-8-4-12-32(36)40/h1-24H.
What are the key properties of 2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline?
2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline has a molecular weight of 626.41 g/mol, XLogP of 12.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline is sourced from PubChem (CID 20558748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).