4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C36H27ClN2 — CID 59025088

IUPAC4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESClc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H27ClN2/c37-30-20-16-28(17-21-30)29-18-22-34(23-19-29)39(33-14-8-3-9-15-33)36-26-24-35(25-27-36)38(31-10-4-1-5-11-31)32-12-6-2-7-13-32/h1-27H
InChIKeyMXESFLVNZVOGPI-UHFFFAOYSA-N
MW523.08 g/mol
LogP10.95
Rot. Bonds7

About 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 59025088) has the molecular formula C36H27ClN2 and a molecular weight of 523.08 g/mol. Its IUPAC name is 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID59025088
Molecular FormulaC36H27ClN2
Molecular Weight523.08 g/mol
Exact Mass522.19
IUPAC Name4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESClc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H27ClN2/c37-30-20-16-28(17-21-30)29-18-22-34(23-19-29)39(33-14-8-3-9-15-33)36-26-24-35(25-27-36)38(31-10-4-1-5-11-31)32-12-6-2-7-13-32/h1-27H
InChIKeyMXESFLVNZVOGPI-UHFFFAOYSA-N
XLogP10.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.08
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine with MolForge

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Related Compounds

[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(3-methylphenyl)-N4,N4'-diphenyl-
CID 103315
N,N,N',N'-Tetrakis(4-amino-phenyl)benzidine
CID 5130174
N,N,N',N'-Tetraphenylbenzidine
CID 84981
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-diphenyl-N4,N4'-bis[4-(4-phenyl-1,3-butadien-1-yl)phenyl]-
CID 59920086
N-[3-[4-(4-chlorophenyl)phenyl]propyl]-N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 122184670
4,4'-[(4-Chlorophenyl)methanediyl]bis(n,n-dimethylaniline)
CID 239113
Benzenamine, 4,4'-cyclohexylidenebis(N,N-bis(4-methylphenyl)-
CID 94071
N,N'-Diphenyl-N,N'-di-p-tolylbenzene-1,4-diamine
CID 16218148
N,N'-Bis(4-(bis(3-methylphenyl)amino)phenyl)-N,N'-diphenyl-4,4'-biphenyldiamine
CID 22229200
N4,N4,N4'',N4''-tetra([1,1'-biphenyl]-4-yl)-[1,1':4',1''-terphenyl]-4,4''-diamine
CID 58850719
4,4'-Bis(4-(di-p-tolylamino)styryl)biphenyl
CID 14366516
N~4~,N~4'~-Bis(4-methylphenyl)-N~4~,N~4'~-diphenyl(1,1'-biphenyl)-4,4'-diamine
CID 640095

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 59025088) is 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is Clc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is MXESFLVNZVOGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27ClN2/c37-30-20-16-28(17-21-30)29-18-22-34(23-19-29)39(33-14-8-3-9-15-33)36-26-24-35(25-27-36)38(31-10-4-1-5-11-31)32-12-6-2-7-13-32/h1-27H.
What are the key properties of 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 523.08 g/mol, XLogP of 10.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 59025088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).