N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine

C42H25F9N2 — CID 171749994

IUPACN-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine
SMILESFC(F)(F)c1ccc(N(c2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c2ccc3cc(-c4ccccc4)cc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C42H25F9N2/c43-40(44,45)32-15-17-35(18-16-32)53(36-13-7-12-28(23-36)31-21-33(41(46,47)48)25-34(22-31)42(49,50)51)38-19-14-29-20-30(26-8-3-1-4-9-26)24-37(39(29)52-38)27-10-5-2-6-11-27/h1-25H
InChIKeyMWLHMUDNFYLFQY-UHFFFAOYSA-N
MW728.66 g/mol
LogP13.76
Rot. Bonds6

About N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine

N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine (PubChem CID 171749994) has the molecular formula C42H25F9N2 and a molecular weight of 728.66 g/mol. Its IUPAC name is N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine
PubChem CID171749994
Molecular FormulaC42H25F9N2
Molecular Weight728.66 g/mol
Exact Mass728.19
IUPAC NameN-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine
SMILESFC(F)(F)c1ccc(N(c2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c2ccc3cc(-c4ccccc4)cc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C42H25F9N2/c43-40(44,45)32-15-17-35(18-16-32)53(36-13-7-12-28(23-36)31-21-33(41(46,47)48)25-34(22-31)42(49,50)51)38-19-14-29-20-30(26-8-3-1-4-9-26)24-37(39(29)52-38)27-10-5-2-6-11-27/h1-25H
InChIKeyMWLHMUDNFYLFQY-UHFFFAOYSA-N
XLogP13.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.66
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine
CID 171750005
N,7-diphenyl-N-[3-(2,4,6-triphenylphenyl)phenyl]naphthalen-2-amine
CID 166679452
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 90097413
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-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-5,7-diphenylquinoxalin-2-amine
CID 171749969
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
CID 126492683

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine?
The IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine (CID 171749994) is N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine.
What is the SMILES notation for N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine?
The canonical SMILES for N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine is FC(F)(F)c1ccc(N(c2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c2ccc3cc(-c4ccccc4)cc(-c4ccccc4)c3n2)cc1.
What is the InChIKey of N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine?
The InChIKey is MWLHMUDNFYLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F9N2/c43-40(44,45)32-15-17-35(18-16-32)53(36-13-7-12-28(23-36)31-21-33(41(46,47)48)25-34(22-31)42(49,50)51)38-19-14-29-20-30(26-8-3-1-4-9-26)24-37(39(29)52-38)27-10-5-2-6-11-27/h1-25H.
What are the key properties of N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine?
N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine has a molecular weight of 728.66 g/mol, XLogP of 13.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine is sourced from PubChem (CID 171749994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).