N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline

C30H23N — CID 135167428

IUPACN-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3Nc3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C30H23N/c1-3-10-23(11-4-1)25-18-20-26(21-19-25)29-16-7-8-17-30(29)31-28-15-9-14-27(22-28)24-12-5-2-6-13-24/h1-22,31H
InChIKeyPLRWVIJQBNRXKF-UHFFFAOYSA-N
MW397.52 g/mol
LogP8.43
Rot. Bonds5

About N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline

N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 135167428) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
PubChem CID135167428
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC NameN-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3Nc3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C30H23N/c1-3-10-23(11-4-1)25-18-20-26(21-19-25)29-16-7-8-17-30(29)31-28-15-9-14-27(22-28)24-12-5-2-6-13-24/h1-22,31H
InChIKeyPLRWVIJQBNRXKF-UHFFFAOYSA-N
XLogP8.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
2-[3-[3-[2-[3-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-N-phenylaniline
CID 129054632
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
benzene;N,2-diphenylaniline
CID 175029921
2-phenyl-N-[2-(3-phenylphenyl)phenyl]aniline
CID 90370372
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 118534074

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The IUPAC name of N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline (CID 135167428) is N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3Nc3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The InChIKey is PLRWVIJQBNRXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-3-10-23(11-4-1)25-18-20-26(21-19-25)29-16-7-8-17-30(29)31-28-15-9-14-27(22-28)24-12-5-2-6-13-24/h1-22,31H.
What are the key properties of N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 397.52 g/mol, XLogP of 8.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 135167428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).