4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline

C42H30ClN — CID 176611385

IUPAC4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline
SMILESClc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C42H30ClN/c43-35-25-21-33(22-26-35)41-29-40(32-15-7-2-8-16-32)42(30-39(41)31-13-5-1-6-14-31)34-23-27-38(28-24-34)44(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-30H
InChIKeyBRSASOHUFPLNRE-UHFFFAOYSA-N
MW584.16 g/mol
LogP12.48
Rot. Bonds7

About 4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline

4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline (PubChem CID 176611385) has the molecular formula C42H30ClN and a molecular weight of 584.16 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline
PubChem CID176611385
Molecular FormulaC42H30ClN
Molecular Weight584.16 g/mol
Exact Mass583.21
IUPAC Name4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline
SMILESClc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C42H30ClN/c43-35-25-21-33(22-26-35)41-29-40(32-15-7-2-8-16-32)42(30-39(41)31-13-5-1-6-14-31)34-23-27-38(28-24-34)44(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-30H
InChIKeyBRSASOHUFPLNRE-UHFFFAOYSA-N
XLogP12.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.16
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline
CID 163604474
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 123790773
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 153085376
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline (CID 176611385) is 4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline is Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline?
The InChIKey is BRSASOHUFPLNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30ClN/c43-35-25-21-33(22-26-35)41-29-40(32-15-7-2-8-16-32)42(30-39(41)31-13-5-1-6-14-31)34-23-27-38(28-24-34)44(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-30H.
What are the key properties of 4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline?
4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline has a molecular weight of 584.16 g/mol, XLogP of 12.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline is sourced from PubChem (CID 176611385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).