N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline

C42H31N — CID 168788803

IUPACN,3-diphenyl-N,2-bis(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C42H31N/c1-5-18-32(19-6-1)36-26-13-14-28-39(36)42-38(34-22-9-3-10-23-34)29-17-31-41(42)43(35-24-11-4-12-25-35)40-30-16-15-27-37(40)33-20-7-2-8-21-33/h1-31H
InChIKeyBLWJQEPOPWBGPY-UHFFFAOYSA-N
MW549.72 g/mol
LogP11.82
Rot. Bonds7

About N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline

N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline (PubChem CID 168788803) has the molecular formula C42H31N and a molecular weight of 549.72 g/mol. Its IUPAC name is N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN,3-diphenyl-N,2-bis(2-phenylphenyl)aniline
PubChem CID168788803
Molecular FormulaC42H31N
Molecular Weight549.72 g/mol
Exact Mass549.25
IUPAC NameN,3-diphenyl-N,2-bis(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C42H31N/c1-5-18-32(19-6-1)36-26-13-14-28-39(36)42-38(34-22-9-3-10-23-34)29-17-31-41(42)43(35-24-11-4-12-25-35)40-30-16-15-27-37(40)33-20-7-2-8-21-33/h1-31H
InChIKeyBLWJQEPOPWBGPY-UHFFFAOYSA-N
XLogP11.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789132
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
N-(4-dibenzofuran-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789602
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790075
N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789323
1-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 164774553

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline?
The IUPAC name of N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline (CID 168788803) is N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline.
What is the SMILES notation for N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline?
The canonical SMILES for N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline?
The InChIKey is BLWJQEPOPWBGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N/c1-5-18-32(19-6-1)36-26-13-14-28-39(36)42-38(34-22-9-3-10-23-34)29-17-31-41(42)43(35-24-11-4-12-25-35)40-30-16-15-27-37(40)33-20-7-2-8-21-33/h1-31H.
What are the key properties of N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline?
N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline has a molecular weight of 549.72 g/mol, XLogP of 11.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline is sourced from PubChem (CID 168788803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).