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

C36H25F3N2O — CID 176668756

IUPAC10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C36H25F3N2O/c1-22-11-14-24(15-12-22)27-21-28(25-16-18-26(19-17-25)36(37,38)39)40-35-31(20-13-23(2)34(27)35)41-29-7-3-5-9-32(29)42-33-10-6-4-8-30(33)41/h3-21H,1-2H3
InChIKeyVWTHVILYFOJJGO-UHFFFAOYSA-N
MW558.60 g/mol
LogP10.78
Rot. Bonds3

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

10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (PubChem CID 176668756) has the molecular formula C36H25F3N2O and a molecular weight of 558.60 g/mol. Its IUPAC name is 10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
PubChem CID176668756
Molecular FormulaC36H25F3N2O
Molecular Weight558.60 g/mol
Exact Mass558.19
IUPAC Name10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C36H25F3N2O/c1-22-11-14-24(15-12-22)27-21-28(25-16-18-26(19-17-25)36(37,38)39)40-35-31(20-13-23(2)34(27)35)41-29-7-3-5-9-32(29)42-33-10-6-4-8-30(33)41/h3-21H,1-2H3
InChIKeyVWTHVILYFOJJGO-UHFFFAOYSA-N
XLogP10.78
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.60
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine with MolForge

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Related Compounds

10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
Fdqpxz
CID 145766039
2-(4-Methoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 386966
2-(4-Fluorophenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 388004
3-[(4-Methoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline
CID 389428
2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline
CID 67711475
2-[4-[2-(2,2,2-Trifluoroethoxy)phenyl]-1-piperazinylmethyl]quinoline
CID 69699662
6-Fluoro-2-[4-[2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinylmethyl]quinoline
CID 69700157
6-Fluoro-2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 69973426
2-(4-Methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane
CID 91068129
6-(9,9-Dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylphenanthro[9,10-b]pyrazine-2-carbonitrile
CID 118912743
4-[4-(4-Cyano-2-methylphenyl)-2-(3,6-difluorocarbazol-9-yl)-3-(2,8-difluorophenoxazin-10-yl)phenyl]-3-methylbenzonitrile
CID 132111916

Frequently Asked Questions

What is the IUPAC name of 10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (CID 176668756) is 10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)ccc(C)c23)cc1.
What is the InChIKey of 10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The InChIKey is VWTHVILYFOJJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25F3N2O/c1-22-11-14-24(15-12-22)27-21-28(25-16-18-26(19-17-25)36(37,38)39)40-35-31(20-13-23(2)34(27)35)41-29-7-3-5-9-32(29)42-33-10-6-4-8-30(33)41/h3-21H,1-2H3.
What are the key properties of 10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
10-[5-methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine has a molecular weight of 558.60 g/mol, XLogP of 10.78, 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-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).