4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline

C45H32N2 — CID 170652751

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C45H32N2/c1-4-12-33(13-5-1)35-20-26-40(27-21-35)47(41-28-22-36(23-29-41)34-14-6-2-7-15-34)42-30-24-38(25-31-42)45-43(37-16-8-3-9-17-37)32-39-18-10-11-19-44(39)46-45/h1-32H
InChIKeyXCXAVYDSZYQINA-UHFFFAOYSA-N
MW600.77 g/mol
LogP12.37
Rot. Bonds7

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline (PubChem CID 170652751) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
PubChem CID170652751
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C45H32N2/c1-4-12-33(13-5-1)35-20-26-40(27-21-35)47(41-28-22-36(23-29-41)34-14-6-2-7-15-34)42-30-24-38(25-31-42)45-43(37-16-8-3-9-17-37)32-39-18-10-11-19-44(39)46-45/h1-32H
InChIKeyXCXAVYDSZYQINA-UHFFFAOYSA-N
XLogP12.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine
CID 170652775
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-phenylquinolin-2-yl)phenyl]fluoren-2-amine
CID 170652875
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline
CID 59702515
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
CID 170652852
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 135163982
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
2-phenyl-3-(5-phenyl-3-pyridinyl)quinoline
CID 69016440
N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine
CID 170652844
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161079097
1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine
CID 59259894
4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259780

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline (CID 170652751) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5cc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline?
The InChIKey is XCXAVYDSZYQINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-4-12-33(13-5-1)35-20-26-40(27-21-35)47(41-28-22-36(23-29-41)34-14-6-2-7-15-34)42-30-24-38(25-31-42)45-43(37-16-8-3-9-17-37)32-39-18-10-11-19-44(39)46-45/h1-32H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline has a molecular weight of 600.77 g/mol, XLogP of 12.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline is sourced from PubChem (CID 170652751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).