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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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).