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

C43H32F3N3O2 — CID 176668824

IUPAC5-[4-(3,4-dimethoxyphenyl)-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)cc1OC
InChIInChI=1S/C43H32F3N3O2/c1-27-17-23-38(49-36-15-9-7-13-34(36)48(31-11-5-4-6-12-31)35-14-8-10-16-37(35)49)42-41(27)32(29-20-24-39(50-2)40(25-29)51-3)26-33(47-42)28-18-21-30(22-19-28)43(44,45)46/h4-26H,1-3H3
InChIKeyLVRYCUNFEMTZQH-UHFFFAOYSA-N
MW679.74 g/mol
LogP12.17
Rot. Bonds6

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

5-[4-(3,4-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (PubChem CID 176668824) has the molecular formula C43H32F3N3O2 and a molecular weight of 679.74 g/mol. Its IUPAC name is 5-[4-(3,4-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(3,4-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
PubChem CID176668824
Molecular FormulaC43H32F3N3O2
Molecular Weight679.74 g/mol
Exact Mass679.24
IUPAC Name5-[4-(3,4-dimethoxyphenyl)-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)cc1OC
InChIInChI=1S/C43H32F3N3O2/c1-27-17-23-38(49-36-15-9-7-13-34(36)48(31-11-5-4-6-12-31)35-14-8-10-16-37(35)49)42-41(27)32(29-20-24-39(50-2)40(25-29)51-3)26-33(47-42)28-18-21-30(22-19-28)43(44,45)46/h4-26H,1-3H3
InChIKeyLVRYCUNFEMTZQH-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

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

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Related Compounds

2-(3,4-Dimethoxyphenyl)-3-phenylquinoxaline
CID 852561
2-(6,7-Dimethoxynaphthalen-2-yl)quinoline
CID 281809
9-Methoxy-12-phenylbenzo[b]acridine;hydrochloride
CID 137653609
2,9-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 13185379
4,4'-Benzo[g]quinoxaline-2,3-diylbis(2-methoxyphenol)
CID 1309066
2-(3,4-Dimethoxyphenyl)-3-[(4-ethyl-1-piperazinyl)methyl]-7-methylquinoline
CID 70754428
2-[(6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]quinoline bromide
CID 177643769
2,9-Bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
2-{[3-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-1-piperidinyl]methyl}-8-fluoroquinoline
CID 45252933
2-(3,4-Dimethoxyphenyl)-7-methyl-3-[(4-methyl-1-piperazinyl)methyl]quinoline
CID 70715619
1-[2-[6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-(2-methylquinolin-3-yl)urea
CID 69911124
3-[3-[3-(3-Fluorophenyl)phenyl]-4,5-dimethoxyphenyl]-1-methyl-5-(4-phenylphenyl)quinolin-1-ium
CID 89533021

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[4-(3,4-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (CID 176668824) is 5-[4-(3,4-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(3,4-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(3,4-dimethoxyphenyl)-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)cc1OC.
What is the InChIKey of 5-[4-(3,4-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The InChIKey is LVRYCUNFEMTZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32F3N3O2/c1-27-17-23-38(49-36-15-9-7-13-34(36)48(31-11-5-4-6-12-31)35-14-8-10-16-37(35)49)42-41(27)32(29-20-24-39(50-2)40(25-29)51-3)26-33(47-42)28-18-21-30(22-19-28)43(44,45)46/h4-26H,1-3H3.
What are the key properties of 5-[4-(3,4-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
5-[4-(3,4-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-(3,4-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).