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

C34H21F3N2O — CID 176668780

IUPAC10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1
InChIInChI=1S/C34H21F3N2O/c35-34(36,37)24-19-17-23(18-20-24)27-21-26(22-9-2-1-3-10-22)25-11-8-14-30(33(25)38-27)39-28-12-4-6-15-31(28)40-32-16-7-5-13-29(32)39/h1-21H
InChIKeyXJHQTEOGWLCPMD-UHFFFAOYSA-N
MW530.55 g/mol
LogP10.16
Rot. Bonds3

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

10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (PubChem CID 176668780) has the molecular formula C34H21F3N2O and a molecular weight of 530.55 g/mol. Its IUPAC name is 10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
PubChem CID176668780
Molecular FormulaC34H21F3N2O
Molecular Weight530.55 g/mol
Exact Mass530.16
IUPAC Name10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1
InChIInChI=1S/C34H21F3N2O/c35-34(36,37)24-19-17-23(18-20-24)27-21-26(22-9-2-1-3-10-22)25-11-8-14-30(33(25)38-27)39-28-12-4-6-15-31(28)40-32-16-7-5-13-29(32)39/h1-21H
InChIKeyXJHQTEOGWLCPMD-UHFFFAOYSA-N
XLogP10.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.55
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[6-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196331
Quinoline, 2-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-
CID 3044972
2,4-Diphenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57398656
4-Phenyl-2-(4-phenylphenyl)-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57400340
4-Phenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]-2-(p-tolyl)quinoline
CID 57403885
10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
Fdqpxz
CID 145766039
2,9-Di(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
2,9-Bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
2-(4-Fluorophenoxy)-3-phenylquinoxaline
CID 386968
2-(4-Fluorophenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 388004
3-[(4-Fluorophenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline
CID 392820

Frequently Asked Questions

What is the IUPAC name of 10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (CID 176668780) is 10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is FC(F)(F)c1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5Oc5ccccc54)c3n2)cc1.
What is the InChIKey of 10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The InChIKey is XJHQTEOGWLCPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21F3N2O/c35-34(36,37)24-19-17-23(18-20-24)27-21-26(22-9-2-1-3-10-22)25-11-8-14-30(33(25)38-27)39-28-12-4-6-15-31(28)40-32-16-7-5-13-29(32)39/h1-21H.
What are the key properties of 10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine has a molecular weight of 530.55 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).