4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline

C31H26N2 — CID 67215708

IUPAC4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
SMILESCc1cccc(-c2cc(-c3ccc(Nc4ccccc4)cc3)ccc2Nc2ccccc2)c1
InChIInChI=1S/C31H26N2/c1-23-9-8-10-26(21-23)30-22-25(17-20-31(30)33-28-13-6-3-7-14-28)24-15-18-29(19-16-24)32-27-11-4-2-5-12-27/h2-22,32-33H,1H3
InChIKeyOWAWFKSRQXCANZ-UHFFFAOYSA-N
MW426.56 g/mol
LogP8.82
Rot. Bonds6

About 4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline

4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline (PubChem CID 67215708) has the molecular formula C31H26N2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
PubChem CID67215708
Molecular FormulaC31H26N2
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC Name4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
SMILESCc1cccc(-c2cc(-c3ccc(Nc4ccccc4)cc3)ccc2Nc2ccccc2)c1
InChIInChI=1S/C31H26N2/c1-23-9-8-10-26(21-23)30-22-25(17-20-31(30)33-28-13-6-3-7-14-28)24-15-18-29(19-16-24)32-27-11-4-2-5-12-27/h2-22,32-33H,1H3
InChIKeyOWAWFKSRQXCANZ-UHFFFAOYSA-N
XLogP8.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline?
The IUPAC name of 4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline (CID 67215708) is 4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline?
The canonical SMILES for 4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline is Cc1cccc(-c2cc(-c3ccc(Nc4ccccc4)cc3)ccc2Nc2ccccc2)c1.
What is the InChIKey of 4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline?
The InChIKey is OWAWFKSRQXCANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2/c1-23-9-8-10-26(21-23)30-22-25(17-20-31(30)33-28-13-6-3-7-14-28)24-15-18-29(19-16-24)32-27-11-4-2-5-12-27/h2-22,32-33H,1H3.
What are the key properties of 4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline?
4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline has a molecular weight of 426.56 g/mol, XLogP of 8.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 67215708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).