N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine

C42H25F9N2 — CID 171750005

IUPACN-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine
SMILESFC(F)(F)c1ccc(N(c2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c2cnc3cc(-c4ccccc4)cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C42H25F9N2/c43-40(44,45)31-14-16-34(17-15-31)53(35-13-7-12-28(20-35)29-18-32(41(46,47)48)23-33(19-29)42(49,50)51)36-24-38-37(27-10-5-2-6-11-27)21-30(22-39(38)52-25-36)26-8-3-1-4-9-26/h1-25H
InChIKeyRDPWERGGSUIXPQ-UHFFFAOYSA-N
MW728.66 g/mol
LogP13.76
Rot. Bonds6

About N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine

N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine (PubChem CID 171750005) 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]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine
PubChem CID171750005
Molecular FormulaC42H25F9N2
Molecular Weight728.66 g/mol
Exact Mass728.19
IUPAC NameN-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine
SMILESFC(F)(F)c1ccc(N(c2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c2cnc3cc(-c4ccccc4)cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C42H25F9N2/c43-40(44,45)31-14-16-34(17-15-31)53(35-13-7-12-28(20-35)29-18-32(41(46,47)48)23-33(19-29)42(49,50)51)36-24-38-37(27-10-5-2-6-11-27)21-30(22-39(38)52-25-36)26-8-3-1-4-9-26/h1-25H
InChIKeyRDPWERGGSUIXPQ-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

Analyze N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6,8-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-2-amine
CID 171749994
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
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
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
9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
CID 130354134
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 130353117

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine?
The IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine (CID 171750005) is N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine.
What is the SMILES notation for N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine?
The canonical SMILES for N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine is FC(F)(F)c1ccc(N(c2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c2cnc3cc(-c4ccccc4)cc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine?
The InChIKey is RDPWERGGSUIXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F9N2/c43-40(44,45)31-14-16-34(17-15-31)53(35-13-7-12-28(20-35)29-18-32(41(46,47)48)23-33(19-29)42(49,50)51)36-24-38-37(27-10-5-2-6-11-27)21-30(22-39(38)52-25-36)26-8-3-1-4-9-26/h1-25H.
What are the key properties of N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine?
N-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-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]-5,7-diphenyl-N-[4-(trifluoromethyl)phenyl]quinolin-3-amine is sourced from PubChem (CID 171750005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).