4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline

C38H32N2 — CID 22630523

IUPAC4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline
SMILESCc1cccc(-c2c(N)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(N)cc3)c2-c2cccc(C)c2)c1
InChIInChI=1S/C38H32N2/c1-25-11-9-17-30(23-25)35-33(29-19-21-32(39)22-20-29)34(27-13-5-3-6-14-27)36(28-15-7-4-8-16-28)38(40)37(35)31-18-10-12-26(2)24-31/h3-24H,39-40H2,1-2H3
InChIKeyYTZQCZQEUJBXSQ-UHFFFAOYSA-N
MW516.69 g/mol
LogP9.80
Rot. Bonds5

About 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline

4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline (PubChem CID 22630523) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline
PubChem CID22630523
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline
SMILESCc1cccc(-c2c(N)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(N)cc3)c2-c2cccc(C)c2)c1
InChIInChI=1S/C38H32N2/c1-25-11-9-17-30(23-25)35-33(29-19-21-32(39)22-20-29)34(27-13-5-3-6-14-27)36(28-15-7-4-8-16-28)38(40)37(35)31-18-10-12-26(2)24-31/h3-24H,39-40H2,1-2H3
InChIKeyYTZQCZQEUJBXSQ-UHFFFAOYSA-N
XLogP9.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 59.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline
CID 87615494
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline
CID 87150569
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
methanamine;1-methyl-3-phenylbenzene
CID 145414985
aniline;3-methylaniline
CID 70490422
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
methane;1-(3-methylphenyl)-2,3,4,5-tetraphenylbenzene
CID 142335654
4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline
CID 131995519
ethane;1-methyl-3-phenylbenzene
CID 142040878

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline?
The IUPAC name of 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline (CID 22630523) is 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline is Cc1cccc(-c2c(N)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(N)cc3)c2-c2cccc(C)c2)c1.
What is the InChIKey of 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline?
The InChIKey is YTZQCZQEUJBXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-25-11-9-17-30(23-25)35-33(29-19-21-32(39)22-20-29)34(27-13-5-3-6-14-27)36(28-15-7-4-8-16-28)38(40)37(35)31-18-10-12-26(2)24-31/h3-24H,39-40H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline?
4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline has a molecular weight of 516.69 g/mol, XLogP of 9.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)-5,6-diphenylaniline is sourced from PubChem (CID 22630523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).