2,6-diphenyl-N-(2-phenylphenyl)aniline

C30H23N — CID 175811006

IUPAC2,6-diphenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2Nc2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C30H23N/c1-4-13-23(14-5-1)26-19-10-11-22-29(26)31-30-27(24-15-6-2-7-16-24)20-12-21-28(30)25-17-8-3-9-18-25/h1-22,31H
InChIKeyQKERWJMNLLZLMB-UHFFFAOYSA-N
MW397.52 g/mol
LogP8.43
Rot. Bonds5

About 2,6-diphenyl-N-(2-phenylphenyl)aniline

2,6-diphenyl-N-(2-phenylphenyl)aniline (PubChem CID 175811006) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is 2,6-diphenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound Name2,6-diphenyl-N-(2-phenylphenyl)aniline
PubChem CID175811006
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name2,6-diphenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2Nc2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C30H23N/c1-4-13-23(14-5-1)26-19-10-11-22-29(26)31-30-27(24-15-6-2-7-16-24)20-12-21-28(30)25-17-8-3-9-18-25/h1-22,31H
InChIKeyQKERWJMNLLZLMB-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,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504
benzene;N,2-diphenylaniline
CID 175029921
2-phenyl-N-[2-(3-phenylphenyl)phenyl]aniline
CID 90370372
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine
CID 175869356
2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide
CID 150000965
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline
CID 177082964
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
N-methyl-2,6-diphenylaniline
CID 123873033

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of 2,6-diphenyl-N-(2-phenylphenyl)aniline (CID 175811006) is 2,6-diphenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for 2,6-diphenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for 2,6-diphenyl-N-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2Nc2c(-c3ccccc3)cccc2-c2ccccc2)cc1.
What is the InChIKey of 2,6-diphenyl-N-(2-phenylphenyl)aniline?
The InChIKey is QKERWJMNLLZLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-4-13-23(14-5-1)26-19-10-11-22-29(26)31-30-27(24-15-6-2-7-16-24)20-12-21-28(30)25-17-8-3-9-18-25/h1-22,31H.
What are the key properties of 2,6-diphenyl-N-(2-phenylphenyl)aniline?
2,6-diphenyl-N-(2-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 2,6-diphenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 175811006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).