10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine

C26H18N4O — CID 121244909

IUPAC10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H18N4O/c1-3-11-19(12-4-1)25-27-26(28-30(25)20-13-5-2-6-14-20)29-21-15-7-9-17-23(21)31-24-18-10-8-16-22(24)29/h1-18H
InChIKeyFFCQDIODLAGSAD-UHFFFAOYSA-N
MW402.46 g/mol
LogP6.51
Rot. Bonds3

About 10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine

10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine (PubChem CID 121244909) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine.

Molecular Properties

Compound Name10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine
PubChem CID121244909
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H18N4O/c1-3-11-19(12-4-1)25-27-26(28-30(25)20-13-5-2-6-14-20)29-21-15-7-9-17-23(21)31-24-18-10-8-16-22(24)29/h1-18H
InChIKeyFFCQDIODLAGSAD-UHFFFAOYSA-N
XLogP6.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine?
The IUPAC name of 10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine (CID 121244909) is 10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine.
What is the SMILES notation for 10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine?
The canonical SMILES for 10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine is c1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nn2-c2ccccc2)cc1.
What is the InChIKey of 10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine?
The InChIKey is FFCQDIODLAGSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c1-3-11-19(12-4-1)25-27-26(28-30(25)20-13-5-2-6-14-20)29-21-15-7-9-17-23(21)31-24-18-10-8-16-22(24)29/h1-18H.
What are the key properties of 10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine?
10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine has a molecular weight of 402.46 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,5-diphenyl-1,2,4-triazol-3-yl)phenoxazine is sourced from PubChem (CID 121244909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).