4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline

C38H32N2 — CID 18963671

IUPAC4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline
SMILESCc1cccc(Nc2ccc(-c3ccc(Nc4cccc(C)c4)cc3-c3ccccc3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C38H32N2/c1-27-11-9-17-31(23-27)39-33-19-21-35(37(25-33)29-13-5-3-6-14-29)36-22-20-34(40-32-18-10-12-28(2)24-32)26-38(36)30-15-7-4-8-16-30/h3-26,39-40H,1-2H3
InChIKeySEBLESJOHIBMBZ-UHFFFAOYSA-N
MW516.69 g/mol
LogP10.79
Rot. Bonds7

About 4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline

4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline (PubChem CID 18963671) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline.

Molecular Properties

Compound Name4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline
PubChem CID18963671
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline
SMILESCc1cccc(Nc2ccc(-c3ccc(Nc4cccc(C)c4)cc3-c3ccccc3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C38H32N2/c1-27-11-9-17-31(23-27)39-33-19-21-35(37(25-33)29-13-5-3-6-14-29)36-22-20-34(40-32-18-10-12-28(2)24-32)26-38(36)30-15-7-4-8-16-30/h3-26,39-40H,1-2H3
InChIKeySEBLESJOHIBMBZ-UHFFFAOYSA-N
XLogP10.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-1-naphthylamine
CID 7013
N-phenyl-2-naphthylamine
CID 8679
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
N,N'-Di(2-naphthyl)-p-phenylenediamine
CID 7142
4,4'-Dioctyldiphenylamine
CID 7569
Xylidine
CID 56846457
Victoria Blue B
CID 17407
N,N'-Diphenylbenzidine
CID 68280
1-Naphthalenamine, N-(dodecylphenyl)-
CID 116650
(2,4,4-Trimethylpentyl)-N-phenyl-1-naphthylamine
CID 121494093
(Phenanthren-9-yl)-phenyl-amine
CID 9943327

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline?
The IUPAC name of 4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline (CID 18963671) is 4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline.
What is the SMILES notation for 4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline?
The canonical SMILES for 4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline is Cc1cccc(Nc2ccc(-c3ccc(Nc4cccc(C)c4)cc3-c3ccccc3)c(-c3ccccc3)c2)c1.
What is the InChIKey of 4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline?
The InChIKey is SEBLESJOHIBMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-27-11-9-17-31(23-27)39-33-19-21-35(37(25-33)29-13-5-3-6-14-29)36-22-20-34(40-32-18-10-12-28(2)24-32)26-38(36)30-15-7-4-8-16-30/h3-26,39-40H,1-2H3.
What are the key properties of 4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline?
4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline has a molecular weight of 516.69 g/mol, XLogP of 10.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylanilino)-2-phenylphenyl]-N-(3-methylphenyl)-3-phenylaniline is sourced from PubChem (CID 18963671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).