5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine

C42H30F3N3O — CID 176668782

IUPAC5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C42H30F3N3O/c1-27-16-25-39(48-37-14-8-6-12-35(37)47(31-10-4-3-5-11-31)36-13-7-9-15-38(36)48)41-40(27)33(28-19-23-32(49-2)24-20-28)26-34(46-41)29-17-21-30(22-18-29)42(43,44)45/h3-26H,1-2H3
InChIKeyGQSJYIFORSODSU-UHFFFAOYSA-N
MW649.72 g/mol
LogP12.16
Rot. Bonds5

About 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine

5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (PubChem CID 176668782) has the molecular formula C42H30F3N3O and a molecular weight of 649.72 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
PubChem CID176668782
Molecular FormulaC42H30F3N3O
Molecular Weight649.72 g/mol
Exact Mass649.23
IUPAC Name5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C42H30F3N3O/c1-27-16-25-39(48-37-14-8-6-12-35(37)47(31-10-4-3-5-11-31)36-13-7-9-15-38(36)48)41-40(27)33(28-19-23-32(49-2)24-20-28)26-34(46-41)29-17-21-30(22-18-29)42(43,44)45/h3-26H,1-2H3
InChIKeyGQSJYIFORSODSU-UHFFFAOYSA-N
XLogP12.16
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.72
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine 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

3-(2-Methoxyphenyl)-2-phenylbenzo[g]quinoxaline
CID 1983598
Quinoxaline, 2,3-bis(4-methoxyphenyl)-6-methyl-
CID 215802
4-[1-(4-Methoxyphenyl)ethenyl]-2-(trifluoromethyl)quinoline
CID 137649085
2,3-Bis(2-methoxyphenyl)benzo[g]quinoxaline
CID 1976384
7-(4-Methoxyphenyl)-2-methylquinoline
CID 44432673
3-Methoxy-12-phenylbenzo[b]acridine;hydrochloride
CID 137645239
2-[[2-Methyl(4-methoxyphenyl)amino]methyl]-3-phenyl-7-triflu oromethylquinoxaline
CID 24203941
2-[[2-Ethyl(4-methoxyphenyl)amino]methyl]3-phenyl-7-trifluor omethylquinoxaline
CID 24204434
4-[1-(4-methoxyphenyl)benzo[f][1,7]naphthyridin-3-yl]-N,N-dimethylaniline
CID 132849961
6,7-Dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline
CID 134156187
3,4,8-Tris(4-methoxyphenyl)-2-(trifluoromethyl)quinoline
CID 145952129
(4aS,12aR)-2-ethyl-4a-(3-methoxyphenyl)-11-phenyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridine
CID 44533062

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (CID 176668782) is 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The InChIKey is GQSJYIFORSODSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F3N3O/c1-27-16-25-39(48-37-14-8-6-12-35(37)47(31-10-4-3-5-11-31)36-13-7-9-15-38(36)48)41-40(27)33(28-19-23-32(49-2)24-20-28)26-34(46-41)29-17-21-30(22-18-29)42(43,44)45/h3-26H,1-2H3.
What are the key properties of 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine has a molecular weight of 649.72 g/mol, XLogP of 12.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).