5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine

C42H30F3N3O2 — CID 176668724

IUPAC5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)cccc23)c1
InChIInChI=1S/C42H30F3N3O2/c1-49-31-23-28(24-32(25-31)50-2)34-26-35(27-19-21-29(22-20-27)42(43,44)45)46-41-33(34)13-10-18-40(41)48-38-16-8-6-14-36(38)47(30-11-4-3-5-12-30)37-15-7-9-17-39(37)48/h3-26H,1-2H3
InChIKeyZYYBHVHUSJJPFM-UHFFFAOYSA-N
MW665.72 g/mol
LogP11.86
Rot. Bonds6

About 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine

5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (PubChem CID 176668724) has the molecular formula C42H30F3N3O2 and a molecular weight of 665.72 g/mol. Its IUPAC name is 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
PubChem CID176668724
Molecular FormulaC42H30F3N3O2
Molecular Weight665.72 g/mol
Exact Mass665.23
IUPAC Name5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)cccc23)c1
InChIInChI=1S/C42H30F3N3O2/c1-49-31-23-28(24-32(25-31)50-2)34-26-35(27-19-21-29(22-20-27)42(43,44)45)46-41-33(34)13-10-18-40(41)48-38-16-8-6-14-36(38)47(30-11-4-3-5-12-30)37-15-7-9-17-39(37)48/h3-26H,1-2H3
InChIKeyZYYBHVHUSJJPFM-UHFFFAOYSA-N
XLogP11.86
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.72
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,5-Dimethoxyphenyl)isoquinolin-1-yl]aniline
CID 145989186
2-Methyl-7-(3-(trifluoromethoxy)phenyl)quinoline
CID 44432668
N-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 137654714
4-[3-(Trifluoromethoxy)phenoxy]-2,7-bis(trifluoromethyl)quinoline
CID 168291614
2,9-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 13185379
2-(2,6-Dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline
CID 53315282
4-(4-Fluorophenyl)-7-methoxy-2-(2-quinolinyl)-5,6-dihydrobenzo[h]quinoline
CID 388618
6-Methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline
CID 25198420
2,9-Bis(p-methoxytetrafluorophenyl)-1,10-phenanthroline
CID 129769057
4-[4-(3-Methoxyphenyl)-7-(trifluoromethyl)quinolin-2-yl]benzonitrile
CID 134839663
2-Methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine
CID 100954301
2,9-Di(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (CID 176668724) is 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is COc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)cccc23)c1.
What is the InChIKey of 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The InChIKey is ZYYBHVHUSJJPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F3N3O2/c1-49-31-23-28(24-32(25-31)50-2)34-26-35(27-19-21-29(22-20-27)42(43,44)45)46-41-33(34)13-10-18-40(41)48-38-16-8-6-14-36(38)47(30-11-4-3-5-12-30)37-15-7-9-17-39(37)48/h3-26H,1-2H3.
What are the key properties of 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine has a molecular weight of 665.72 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).