10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine

C27H17F3N4O — CID 140910377

IUPAC10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine
SMILESFC(F)(F)c1cc(-c2ncnn2-c2ccccc2)ccc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C27H17F3N4O/c28-27(29,30)20-16-18(26-31-17-32-34(26)19-8-2-1-3-9-19)14-15-21(20)33-22-10-4-6-12-24(22)35-25-13-7-5-11-23(25)33/h1-17H
InChIKeyIUIKPGOYHSWVST-UHFFFAOYSA-N
MW470.45 g/mol
LogP7.53
Rot. Bonds3

About 10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine

10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine (PubChem CID 140910377) has the molecular formula C27H17F3N4O and a molecular weight of 470.45 g/mol. Its IUPAC name is 10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine
PubChem CID140910377
Molecular FormulaC27H17F3N4O
Molecular Weight470.45 g/mol
Exact Mass470.14
IUPAC Name10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine
SMILESFC(F)(F)c1cc(-c2ncnn2-c2ccccc2)ccc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C27H17F3N4O/c28-27(29,30)20-16-18(26-31-17-32-34(26)19-8-2-1-3-9-19)14-15-21(20)33-22-10-4-6-12-24(22)35-25-13-7-5-11-23(25)33/h1-17H
InChIKeyIUIKPGOYHSWVST-UHFFFAOYSA-N
XLogP7.53
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-(4,5-Diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazine
CID 102430159
2Pxz-taz
CID 102430160
1-[4-[1-[4-(1,1,2,2,2-Pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-(2-phenylphenyl)urea
CID 118675070
1-[4-[1-[4-(1,1,2,2,2-Pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 118675116
3-Phenyl-2-[4-[1-[2-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]pyridine
CID 118679114
3-[2-[4-[1-[2-(Trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]pyridine
CID 118679116
10-[4-(2-Methyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine
CID 145125611
2-Methyl-4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]aniline
CID 155581209
2,6-Dimethyl-4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]aniline
CID 155581302
3-Methyl-10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]-3,4-dihydrophenoxazine
CID 163900376
N'-[6-[1-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-triazol-3-yl]quinolin-2-yl]-N-ethyl-N-(2-propan-2-ylphenyl)ethanimidamide
CID 166811730
4-[1-[4-(2,2-Difluoroethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylaniline
CID 178018239

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine (CID 140910377) is 10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine is FC(F)(F)c1cc(-c2ncnn2-c2ccccc2)ccc1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
The InChIKey is IUIKPGOYHSWVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3N4O/c28-27(29,30)20-16-18(26-31-17-32-34(26)19-8-2-1-3-9-19)14-15-21(20)33-22-10-4-6-12-24(22)35-25-13-7-5-11-23(25)33/h1-17H.
What are the key properties of 10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine?
10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine has a molecular weight of 470.45 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)phenyl]phenoxazine is sourced from PubChem (CID 140910377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).