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

C32H22N4O — CID 121244872

IUPAC10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C32H22N4O/c1-3-11-23(12-4-1)31-33-32(24-13-5-2-6-14-24)36(34-31)26-21-19-25(20-22-26)35-27-15-7-9-17-29(27)37-30-18-10-8-16-28(30)35/h1-22H
InChIKeyYWEWXFROYFOIER-UHFFFAOYSA-N
MW478.56 g/mol
LogP8.18
Rot. Bonds4

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

10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine (PubChem CID 121244872) has the molecular formula C32H22N4O and a molecular weight of 478.56 g/mol. Its IUPAC name is 10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine
PubChem CID121244872
Molecular FormulaC32H22N4O
Molecular Weight478.56 g/mol
Exact Mass478.18
IUPAC Name10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C32H22N4O/c1-3-11-23(12-4-1)31-33-32(24-13-5-2-6-14-24)36(34-31)26-21-19-25(20-22-26)35-27-15-7-9-17-29(27)37-30-18-10-8-16-28(30)35/h1-22H
InChIKeyYWEWXFROYFOIER-UHFFFAOYSA-N
XLogP8.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine (CID 121244872) is 10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)n(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1.
What is the InChIKey of 10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine?
The InChIKey is YWEWXFROYFOIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4O/c1-3-11-23(12-4-1)31-33-32(24-13-5-2-6-14-24)36(34-31)26-21-19-25(20-22-26)35-27-15-7-9-17-29(27)37-30-18-10-8-16-28(30)35/h1-22H.
What are the key properties of 10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine?
10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine has a molecular weight of 478.56 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxazine is sourced from PubChem (CID 121244872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).