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

C32H19F3N2OS — CID 176668847

IUPAC10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESFC(F)(F)c1ccc(-c2cc(-c3cccs3)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1
InChIInChI=1S/C32H19F3N2OS/c33-32(34,35)21-16-14-20(15-17-21)24-19-23(30-13-6-18-39-30)22-7-5-10-27(31(22)36-24)37-25-8-1-3-11-28(25)38-29-12-4-2-9-26(29)37/h1-19H
InChIKeyREKFMCPYJYIKGQ-UHFFFAOYSA-N
MW536.58 g/mol
LogP10.22
Rot. Bonds3

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

10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (PubChem CID 176668847) has the molecular formula C32H19F3N2OS and a molecular weight of 536.58 g/mol. Its IUPAC name is 10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
PubChem CID176668847
Molecular FormulaC32H19F3N2OS
Molecular Weight536.58 g/mol
Exact Mass536.12
IUPAC Name10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESFC(F)(F)c1ccc(-c2cc(-c3cccs3)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1
InChIInChI=1S/C32H19F3N2OS/c33-32(34,35)21-16-14-20(15-17-21)24-19-23(30-13-6-18-39-30)22-7-5-10-27(31(22)36-24)37-25-8-1-3-11-28(25)38-29-12-4-2-9-26(29)37/h1-19H
InChIKeyREKFMCPYJYIKGQ-UHFFFAOYSA-N
XLogP10.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.58
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(4-Fluorophenyl)-4-phenylquinolin-8-yl]phenoxazine
CID 176668808
10-[5-Methyl-4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668900
10-[4-Naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668968
10-[2-(4-Fluorophenyl)-4-(4-methylphenyl)quinolin-8-yl]phenoxazine
CID 176668986
10-[4-(4-Tert-butylphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoxazine
CID 176669047

Frequently Asked Questions

What is the IUPAC name of 10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (CID 176668847) is 10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is FC(F)(F)c1ccc(-c2cc(-c3cccs3)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1.
What is the InChIKey of 10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The InChIKey is REKFMCPYJYIKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19F3N2OS/c33-32(34,35)21-16-14-20(15-17-21)24-19-23(30-13-6-18-39-30)22-7-5-10-27(31(22)36-24)37-25-8-1-3-11-28(25)38-29-12-4-2-9-26(29)37/h1-19H.
What are the key properties of 10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine has a molecular weight of 536.58 g/mol, XLogP of 10.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).