N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine

C38H24F3N3 — CID 171749969

IUPACN-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine
SMILESFc1ccc(N(c2cccc(-c3c(F)cccc3F)c2)c2cnc3c(-c4ccccc4)cc(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C38H24F3N3/c39-29-17-19-30(20-18-29)44(31-14-7-13-27(21-31)37-33(40)15-8-16-34(37)41)36-24-42-38-32(26-11-5-2-6-12-26)22-28(23-35(38)43-36)25-9-3-1-4-10-25/h1-24H
InChIKeyFLKZCMYNPSAVSI-UHFFFAOYSA-N
MW579.63 g/mol
LogP10.52
Rot. Bonds6

About N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine

N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine (PubChem CID 171749969) has the molecular formula C38H24F3N3 and a molecular weight of 579.63 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine
PubChem CID171749969
Molecular FormulaC38H24F3N3
Molecular Weight579.63 g/mol
Exact Mass579.19
IUPAC NameN-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine
SMILESFc1ccc(N(c2cccc(-c3c(F)cccc3F)c2)c2cnc3c(-c4ccccc4)cc(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C38H24F3N3/c39-29-17-19-30(20-18-29)44(31-14-7-13-27(21-31)37-33(40)15-8-16-34(37)41)36-24-42-38-32(26-11-5-2-6-12-26)22-28(23-35(38)43-36)25-9-3-1-4-10-25/h1-24H
InChIKeyFLKZCMYNPSAVSI-UHFFFAOYSA-N
XLogP10.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.63
LogP ≤ 510.52
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,7-diphenyl-N-[3-(2,4,6-triphenylphenyl)phenyl]naphthalen-2-amine
CID 166679452
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
CID 126492683
3-[3-(N-(6,8-diphenylquinolin-2-yl)anilino)phenyl]-5-fluorobenzonitrile
CID 171750041
N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine
CID 171749994
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
CID 166679444
1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58322348
N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine
CID 171750005
1-N,6-N-bis(2,6-difluoro-4-phenylphenyl)-1-N,6-N-bis(4-fluorophenyl)pyrene-1,6-diamine
CID 58099460
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine?
The IUPAC name of N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine (CID 171749969) is N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine.
What is the SMILES notation for N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine?
The canonical SMILES for N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine is Fc1ccc(N(c2cccc(-c3c(F)cccc3F)c2)c2cnc3c(-c4ccccc4)cc(-c4ccccc4)cc3n2)cc1.
What is the InChIKey of N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine?
The InChIKey is FLKZCMYNPSAVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F3N3/c39-29-17-19-30(20-18-29)44(31-14-7-13-27(21-31)37-33(40)15-8-16-34(37)41)36-24-42-38-32(26-11-5-2-6-12-26)22-28(23-35(38)43-36)25-9-3-1-4-10-25/h1-24H.
What are the key properties of N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine?
N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine has a molecular weight of 579.63 g/mol, XLogP of 10.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine is sourced from PubChem (CID 171749969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).