10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine

C35H23F3N2S — CID 176668748

IUPAC10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
SMILESCc1ccc(N2c3ccccc3Sc3ccccc32)c2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C35H23F3N2S/c1-22-15-20-30(40-28-11-5-7-13-31(28)41-32-14-8-6-12-29(32)40)34-33(22)26(23-9-3-2-4-10-23)21-27(39-34)24-16-18-25(19-17-24)35(36,37)38/h2-21H,1H3
InChIKeyOYZCAGLFUMKPRR-UHFFFAOYSA-N
MW560.64 g/mol
LogP10.83
Rot. Bonds3

About 10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine

10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine (PubChem CID 176668748) has the molecular formula C35H23F3N2S and a molecular weight of 560.64 g/mol. Its IUPAC name is 10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine.

Molecular Properties

Compound Name10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
PubChem CID176668748
Molecular FormulaC35H23F3N2S
Molecular Weight560.64 g/mol
Exact Mass560.15
IUPAC Name10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
SMILESCc1ccc(N2c3ccccc3Sc3ccccc32)c2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C35H23F3N2S/c1-22-15-20-30(40-28-11-5-7-13-31(28)41-32-14-8-6-12-29(32)40)34-33(22)26(23-9-3-2-4-10-23)21-27(39-34)24-16-18-25(19-17-24)35(36,37)38/h2-21H,1H3
InChIKeyOYZCAGLFUMKPRR-UHFFFAOYSA-N
XLogP10.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.64
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897
10-[4-(4-tert-butylphenyl)-2-(4-iodo-6-methylcyclohexa-1,3-dien-1-yl)-5-methylquinolin-8-yl]phenothiazine
CID 176669066
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
CID 176669074
5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine
CID 176668683
10-[3-phenothiazin-10-yl-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]phenothiazine
CID 139553554
10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine
CID 176668973
methyl 4-[4-(4-tert-butylphenyl)-5-methyl-8-phenoxazin-10-ylquinolin-2-yl]benzoate
CID 176668849
4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile
CID 176668684
10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
CID 102590349
5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668846
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine
CID 144918505

Frequently Asked Questions

What is the IUPAC name of 10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
The IUPAC name of 10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine (CID 176668748) is 10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine.
What is the SMILES notation for 10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
The canonical SMILES for 10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine is Cc1ccc(N2c3ccccc3Sc3ccccc32)c2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccccc3)c12.
What is the InChIKey of 10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
The InChIKey is OYZCAGLFUMKPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23F3N2S/c1-22-15-20-30(40-28-11-5-7-13-31(28)41-32-14-8-6-12-29(32)40)34-33(22)26(23-9-3-2-4-10-23)21-27(39-34)24-16-18-25(19-17-24)35(36,37)38/h2-21H,1H3.
What are the key properties of 10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine has a molecular weight of 560.64 g/mol, XLogP of 10.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine is sourced from PubChem (CID 176668748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).