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

C43H32F3N3O2 — CID 176668617

IUPAC5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)c1
InChIInChI=1S/C43H32F3N3O2/c1-27-17-22-40(49-38-15-9-7-13-36(38)48(31-11-5-4-6-12-31)37-14-8-10-16-39(37)49)42-41(27)34(29-23-32(50-2)25-33(24-29)51-3)26-35(47-42)28-18-20-30(21-19-28)43(44,45)46/h4-26H,1-3H3
InChIKeySHPAJKPLPBHWDR-UHFFFAOYSA-N
MW679.74 g/mol
LogP12.17
Rot. Bonds6

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

5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (PubChem CID 176668617) has the molecular formula C43H32F3N3O2 and a molecular weight of 679.74 g/mol. Its IUPAC name is 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
PubChem CID176668617
Molecular FormulaC43H32F3N3O2
Molecular Weight679.74 g/mol
Exact Mass679.24
IUPAC Name5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)c1
InChIInChI=1S/C43H32F3N3O2/c1-27-17-22-40(49-38-15-9-7-13-36(38)48(31-11-5-4-6-12-31)37-14-8-10-16-39(37)49)42-41(27)34(29-23-32(50-2)25-33(24-29)51-3)26-35(47-42)28-18-20-30(21-19-28)43(44,45)46/h4-26H,1-3H3
InChIKeySHPAJKPLPBHWDR-UHFFFAOYSA-N
XLogP12.17
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.74
LogP ≤ 512.17
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
1-(3-aminophenyl)-3-(3,5-dimethoxyphenyl)-N,N-dimethylisoquinolin-7-amine
CID 145987999
2-(2,6-Dimethoxyphenyl)-4-[3-[2-(2,6-dimethoxyphenyl)quinolin-4-yl]propyl]quinoline
CID 53315282
3-[(3,5-Dimethoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline
CID 389427
6,20-Di(acridin-9-yl)-13-[4-[[3,5-bis[(3,5-ditert-butylphenyl)methoxy]phenyl]methoxy]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 16129928
2-(4-Methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane
CID 91068129
2-Methylquinoline;8-[[4-(trifluoromethoxy)phenyl]methoxy]-1,2,3,4-tetrahydrochrysene
CID 174810123
2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]quinoline
CID 175586726
2-[2-(2-Fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]quinoline
CID 175586728
10-[4-(4-Methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668598
10-[2-(4-Fluorophenyl)-5-methyl-4-(4-methylphenyl)quinolin-8-yl]phenoxazine
CID 176668607
10-[4-(3,5-Dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668615

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (CID 176668617) is 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is COc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)c1.
What is the InChIKey of 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The InChIKey is SHPAJKPLPBHWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32F3N3O2/c1-27-17-22-40(49-38-15-9-7-13-36(38)48(31-11-5-4-6-12-31)37-14-8-10-16-39(37)49)42-41(27)34(29-23-32(50-2)25-33(24-29)51-3)26-35(47-42)28-18-20-30(21-19-28)43(44,45)46/h4-26H,1-3H3.
What are the key properties of 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine has a molecular weight of 679.74 g/mol, XLogP of 12.17, 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)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).