5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine

C38H26FN3S — CID 176668683

IUPAC5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine
SMILESCc1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3cccs3)c12
InChIInChI=1S/C38H26FN3S/c1-25-17-22-35(38-37(25)29(36-16-9-23-43-36)24-30(40-38)26-18-20-27(39)21-19-26)42-33-14-7-5-12-31(33)41(28-10-3-2-4-11-28)32-13-6-8-15-34(32)42/h2-24H,1H3
InChIKeyKDFIIFDDCSNCPH-UHFFFAOYSA-N
MW575.71 g/mol
LogP11.33
Rot. Bonds4

About 5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine

5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine (PubChem CID 176668683) has the molecular formula C38H26FN3S and a molecular weight of 575.71 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine
PubChem CID176668683
Molecular FormulaC38H26FN3S
Molecular Weight575.71 g/mol
Exact Mass575.18
IUPAC Name5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine
SMILESCc1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3cccs3)c12
InChIInChI=1S/C38H26FN3S/c1-25-17-22-35(38-37(25)29(36-16-9-23-43-36)24-30(40-38)26-18-20-27(39)21-19-26)42-33-14-7-5-12-31(33)41(28-10-3-2-4-11-28)32-13-6-8-15-34(32)42/h2-24H,1H3
InChIKeyKDFIIFDDCSNCPH-UHFFFAOYSA-N
XLogP11.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897
10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine
CID 176669081
4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile
CID 176668684
5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668899
10-[2-(4-fluorophenyl)-5-methyl-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176669028
5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176669093
10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668748
ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate
CID 176668908
8-methyl-2-phenyl-4-thiophen-2-ylquinoline
CID 174885193
10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine
CID 176668973
5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668842
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
CID 176669074

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine (CID 176668683) is 5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine is Cc1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)c2nc(-c3ccc(F)cc3)cc(-c3cccs3)c12.
What is the InChIKey of 5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine?
The InChIKey is KDFIIFDDCSNCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26FN3S/c1-25-17-22-35(38-37(25)29(36-16-9-23-43-36)24-30(40-38)26-18-20-27(39)21-19-26)42-33-14-7-5-12-31(33)41(28-10-3-2-4-11-28)32-13-6-8-15-34(32)42/h2-24H,1H3.
What are the key properties of 5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine?
5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine has a molecular weight of 575.71 g/mol, XLogP of 11.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).