3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile

C40H26FN3 — CID 171750041

IUPAC3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2cccc(N(c3ccccc3)c3ccc4cc(-c5ccccc5)cc(-c5ccccc5)c4n3)c2)c1
InChIInChI=1S/C40H26FN3/c41-35-22-28(27-42)21-33(24-35)31-15-10-18-37(25-31)44(36-16-8-3-9-17-36)39-20-19-32-23-34(29-11-4-1-5-12-29)26-38(40(32)43-39)30-13-6-2-7-14-30/h1-26H
InChIKeyCWKBKXNWMGKVDF-UHFFFAOYSA-N
MW567.67 g/mol
LogP10.72
Rot. Bonds6

About 3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile

3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile (PubChem CID 171750041) has the molecular formula C40H26FN3 and a molecular weight of 567.67 g/mol. Its IUPAC name is 3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile
PubChem CID171750041
Molecular FormulaC40H26FN3
Molecular Weight567.67 g/mol
Exact Mass567.21
IUPAC Name3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2cccc(N(c3ccccc3)c3ccc4cc(-c5ccccc5)cc(-c5ccccc5)c4n3)c2)c1
InChIInChI=1S/C40H26FN3/c41-35-22-28(27-42)21-33(24-35)31-15-10-18-37(25-31)44(36-16-8-3-9-17-36)39-20-19-32-23-34(29-11-4-1-5-12-29)26-38(40(32)43-39)30-13-6-2-7-14-30/h1-26H
InChIKeyCWKBKXNWMGKVDF-UHFFFAOYSA-N
XLogP10.72
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.67
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine
CID 171749991
N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine
CID 171749994
N,7-diphenyl-N-[3-(2,4,6-triphenylphenyl)phenyl]naphthalen-2-amine
CID 166679452
N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine
CID 171749969
3-[N-(9,9-dimethylfluoren-2-yl)-3-(N-(6,7-diphenylnaphthalen-2-yl)-4-fluoroanilino)anilino]-5-(N-(4-fluorophenyl)anilino)benzonitrile
CID 146601456
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
4-(N-[4-[10-(4-fluorophenyl)-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]phenyl]anilino)benzonitrile
CID 90307949
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076

Frequently Asked Questions

What is the IUPAC name of 3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile?
The IUPAC name of 3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile (CID 171750041) is 3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile?
The canonical SMILES for 3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile is N#Cc1cc(F)cc(-c2cccc(N(c3ccccc3)c3ccc4cc(-c5ccccc5)cc(-c5ccccc5)c4n3)c2)c1.
What is the InChIKey of 3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile?
The InChIKey is CWKBKXNWMGKVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26FN3/c41-35-22-28(27-42)21-33(24-35)31-15-10-18-37(25-31)44(36-16-8-3-9-17-36)39-20-19-32-23-34(29-11-4-1-5-12-29)26-38(40(32)43-39)30-13-6-2-7-14-30/h1-26H.
What are the key properties of 3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile?
3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile has a molecular weight of 567.67 g/mol, XLogP of 10.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile is sourced from PubChem (CID 171750041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).