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

C33H21F3N2OS — CID 176668900

IUPAC10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3cccs3)c12
InChIInChI=1S/C33H21F3N2OS/c1-20-12-17-27(38-25-7-2-4-9-28(25)39-29-10-5-3-8-26(29)38)32-31(20)23(30-11-6-18-40-30)19-24(37-32)21-13-15-22(16-14-21)33(34,35)36/h2-19H,1H3
InChIKeyBTGBRAWQGLIUOJ-UHFFFAOYSA-N
MW550.61 g/mol
LogP10.53
Rot. Bonds3

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

10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (PubChem CID 176668900) has the molecular formula C33H21F3N2OS and a molecular weight of 550.61 g/mol. Its IUPAC name is 10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
PubChem CID176668900
Molecular FormulaC33H21F3N2OS
Molecular Weight550.61 g/mol
Exact Mass550.13
IUPAC Name10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3cccs3)c12
InChIInChI=1S/C33H21F3N2OS/c1-20-12-17-27(38-25-7-2-4-9-28(25)39-29-10-5-3-8-26(29)38)32-31(20)23(30-11-6-18-40-30)19-24(37-32)21-13-15-22(16-14-21)33(34,35)36/h2-19H,1H3
InChIKeyBTGBRAWQGLIUOJ-UHFFFAOYSA-N
XLogP10.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.61
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(11,12-Difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine
CID 155678366
2-carbazol-9-yl-N,N-dimethyl-3-phenyl-5-(trifluoromethyl)aniline;9,9-dimethyl-10-[2-phenyl-4-(trifluoromethyl)phenyl]acridine;bis(9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole);10-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]phenoxazine;bis(9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole);tris(9-[2-methyl-4-(trifluoromethyl)phenyl]carbazole);9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;9-[2-phenyl-4-(trifluoromethyl)phenyl]carbazole
CID 159908390
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-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668629
10-[2-(4-Fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoxazine
CID 176668754
10-[5-Methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668756
10-[4-Phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668780
10-[4-(4-Tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668800
10-[2-(4-Fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]phenoxazine
CID 176668803
10-[4-Thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668847
10-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897

Frequently Asked Questions

What is the IUPAC name of 10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (CID 176668900) is 10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is Cc1ccc(N2c3ccccc3Oc3ccccc32)c2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3cccs3)c12.
What is the InChIKey of 10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The InChIKey is BTGBRAWQGLIUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F3N2OS/c1-20-12-17-27(38-25-7-2-4-9-28(25)39-29-10-5-3-8-26(29)38)32-31(20)23(30-11-6-18-40-30)19-24(37-32)21-13-15-22(16-14-21)33(34,35)36/h2-19H,1H3.
What are the key properties of 10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine has a molecular weight of 550.61 g/mol, XLogP of 10.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).