N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine

C45H28F4N2 — CID 171749991

IUPACN,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine
SMILESFc1cc(F)cc(-c2cccc(N(c3cccc(-c4cc(F)cc(F)c4)c3)c3ccc4cc(-c5ccccc5)cc(-c5ccccc5)c4n3)c2)c1
InChIInChI=1S/C45H28F4N2/c46-37-20-35(21-38(47)27-37)31-13-7-15-41(24-31)51(42-16-8-14-32(25-42)36-22-39(48)28-40(49)23-36)44-18-17-33-19-34(29-9-3-1-4-10-29)26-43(45(33)50-44)30-11-5-2-6-12-30/h1-28H
InChIKeyRWJJDGLJQBQDOT-UHFFFAOYSA-N
MW672.73 g/mol
LogP12.93
Rot. Bonds7

About N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine

N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine (PubChem CID 171749991) has the molecular formula C45H28F4N2 and a molecular weight of 672.73 g/mol. Its IUPAC name is N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine.

Molecular Properties

Compound NameN,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine
PubChem CID171749991
Molecular FormulaC45H28F4N2
Molecular Weight672.73 g/mol
Exact Mass672.22
IUPAC NameN,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine
SMILESFc1cc(F)cc(-c2cccc(N(c3cccc(-c4cc(F)cc(F)c4)c3)c3ccc4cc(-c5ccccc5)cc(-c5ccccc5)c4n3)c2)c1
InChIInChI=1S/C45H28F4N2/c46-37-20-35(21-38(47)27-37)31-13-7-15-41(24-31)51(42-16-8-14-32(25-42)36-22-39(48)28-40(49)23-36)44-18-17-33-19-34(29-9-3-1-4-10-29)26-43(45(33)50-44)30-11-5-2-6-12-30/h1-28H
InChIKeyRWJJDGLJQBQDOT-UHFFFAOYSA-N
XLogP12.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.73
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine with MolForge

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Related Compounds

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
N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 167323811
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
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-[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-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
CID 126492683
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine?
The IUPAC name of N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine (CID 171749991) is N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine.
What is the SMILES notation for N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine?
The canonical SMILES for N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine is Fc1cc(F)cc(-c2cccc(N(c3cccc(-c4cc(F)cc(F)c4)c3)c3ccc4cc(-c5ccccc5)cc(-c5ccccc5)c4n3)c2)c1.
What is the InChIKey of N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine?
The InChIKey is RWJJDGLJQBQDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28F4N2/c46-37-20-35(21-38(47)27-37)31-13-7-15-41(24-31)51(42-16-8-14-32(25-42)36-22-39(48)28-40(49)23-36)44-18-17-33-19-34(29-9-3-1-4-10-29)26-43(45(33)50-44)30-11-5-2-6-12-30/h1-28H.
What are the key properties of N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine?
N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine has a molecular weight of 672.73 g/mol, XLogP of 12.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(3,5-difluorophenyl)phenyl]-6,8-diphenylquinolin-2-amine is sourced from PubChem (CID 171749991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).