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

C₄₂H₃₀F₃N₃O₂ — CID 176668724

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 Name: 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
• PubChem CID: 176668724
• Molecular Formula: C₄₂H₃₀F₃N₃O₂
• Molecular Weight: 665.72 g/mol
• Exact Mass: 665.23
• IUPAC Name: 5-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
• SMILES: COc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)cccc23)c1
• InChI: 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
• InChIKey: ZYYBHVHUSJJPFM-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 37.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.72
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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).

Sources

• PubChem CID 176668724 — identifiers, structure, computed properties (public domain)

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