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

C48H35N — CID 168789132

IUPAC3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C48H35N/c1-5-19-36(20-6-1)40-27-17-28-41(35-40)49(46-33-16-15-30-43(46)38-23-9-3-10-24-38)47-34-18-32-44(39-25-11-4-12-26-39)48(47)45-31-14-13-29-42(45)37-21-7-2-8-22-37/h1-35H
InChIKeyGAWJLDIPZUTEQP-UHFFFAOYSA-N
MW625.82 g/mol
LogP13.49
Rot. Bonds8

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

3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline (PubChem CID 168789132) has the molecular formula C48H35N and a molecular weight of 625.82 g/mol. Its IUPAC name is 3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline
PubChem CID168789132
Molecular FormulaC48H35N
Molecular Weight625.82 g/mol
Exact Mass625.28
IUPAC Name3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C48H35N/c1-5-19-36(20-6-1)40-27-17-28-41(35-40)49(46-33-16-15-30-43(46)38-23-9-3-10-24-38)47-34-18-32-44(39-25-11-4-12-26-39)48(47)45-31-14-13-29-42(45)37-21-7-2-8-22-37/h1-35H
InChIKeyGAWJLDIPZUTEQP-UHFFFAOYSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline
CID 168788803
N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168789618
9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789021
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790192
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789323
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
N-(2,4-diphenylphenyl)-9-methylidene-N-(3-phenylphenyl)fluoren-1-amine
CID 134483784

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The IUPAC name of 3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline (CID 168789132) is 3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The canonical SMILES for 3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccccc3-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of 3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The InChIKey is GAWJLDIPZUTEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N/c1-5-19-36(20-6-1)40-27-17-28-41(35-40)49(46-33-16-15-30-43(46)38-23-9-3-10-24-38)47-34-18-32-44(39-25-11-4-12-26-39)48(47)45-31-14-13-29-42(45)37-21-7-2-8-22-37/h1-35H.
What are the key properties of 3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline has a molecular weight of 625.82 g/mol, XLogP of 13.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 168789132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).