3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline

C36H24Cl4N2 — CID 67786435

IUPAC3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESClc1cc(Cl)cc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cc(Cl)cc(Cl)c4)cc3)cc2)c1
InChIInChI=1S/C36H24Cl4N2/c37-27-19-28(38)22-35(21-27)41(31-7-3-1-4-8-31)33-15-11-25(12-16-33)26-13-17-34(18-14-26)42(32-9-5-2-6-10-32)36-23-29(39)20-30(40)24-36/h1-24H
InChIKeyTXGNTJJSBMVEMC-UHFFFAOYSA-N
MW626.41 g/mol
LogP12.91
Rot. Bonds7

About 3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline

3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 67786435) has the molecular formula C36H24Cl4N2 and a molecular weight of 626.41 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID67786435
Molecular FormulaC36H24Cl4N2
Molecular Weight626.41 g/mol
Exact Mass624.07
IUPAC Name3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESClc1cc(Cl)cc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cc(Cl)cc(Cl)c4)cc3)cc2)c1
InChIInChI=1S/C36H24Cl4N2/c37-27-19-28(38)22-35(21-27)41(31-7-3-1-4-8-31)33-15-11-25(12-16-33)26-13-17-34(18-14-26)42(32-9-5-2-6-10-32)36-23-29(39)20-30(40)24-36/h1-24H
InChIKeyTXGNTJJSBMVEMC-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

4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 121295829
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
5-chloro-1-N,1-N-diphenyl-3-N-(2-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 164738275
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
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
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
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
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
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
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-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline (CID 67786435) is 3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline is Clc1cc(Cl)cc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cc(Cl)cc(Cl)c4)cc3)cc2)c1.
What is the InChIKey of 3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is TXGNTJJSBMVEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24Cl4N2/c37-27-19-28(38)22-35(21-27)41(31-7-3-1-4-8-31)33-15-11-25(12-16-33)26-13-17-34(18-14-26)42(32-9-5-2-6-10-32)36-23-29(39)20-30(40)24-36/h1-24H.
What are the key properties of 3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline?
3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline 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 3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 67786435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).