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

C43H30N2 — CID 170652775

IUPACN-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5nc4-c4ccccc4)cc3)c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C43H30N2/c1-3-12-31(13-4-1)36-19-11-20-39(28-36)45(40-27-22-32-14-7-8-17-35(32)29-40)38-25-23-33(24-26-38)41-30-37-18-9-10-21-42(37)44-43(41)34-15-5-2-6-16-34/h1-30H
InChIKeyOKUHHNICODEUFW-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.86
Rot. Bonds6

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

N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine (PubChem CID 170652775) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine
PubChem CID170652775
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC NameN-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5nc4-c4ccccc4)cc3)c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C43H30N2/c1-3-12-31(13-4-1)36-19-11-20-39(28-36)45(40-27-22-32-14-7-8-17-35(32)29-40)38-25-23-33(24-26-38)41-30-37-18-9-10-21-42(37)44-43(41)34-15-5-2-6-16-34/h1-30H
InChIKeyOKUHHNICODEUFW-UHFFFAOYSA-N
XLogP11.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
CID 170652751
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
3-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588253
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-[3-(6-phenylnaphthalen-2-yl)quinolin-2-yl]phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-9-amine
CID 170652888
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine
CID 170652892
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
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

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine (CID 170652775) is N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5nc4-c4ccccc4)cc3)c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine?
The InChIKey is OKUHHNICODEUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-3-12-31(13-4-1)36-19-11-20-39(28-36)45(40-27-22-32-14-7-8-17-35(32)29-40)38-25-23-33(24-26-38)41-30-37-18-9-10-21-42(37)44-43(41)34-15-5-2-6-16-34/h1-30H.
What are the key properties of N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine?
N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine has a molecular weight of 574.73 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170652775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).