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

C38H25N5O2 — CID 121244892

IUPAC10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)n(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C38H25N5O2/c1-2-12-26(13-3-1)37-39-38(42-31-16-6-10-20-35(31)45-36-21-11-7-17-32(36)42)43(40-37)28-24-22-27(23-25-28)41-29-14-4-8-18-33(29)44-34-19-9-5-15-30(34)41/h1-25H
InChIKeyJRMDRLHLZRVKLK-UHFFFAOYSA-N
MW583.65 g/mol
LogP10.09
Rot. Bonds4

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

10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine (PubChem CID 121244892) has the molecular formula C38H25N5O2 and a molecular weight of 583.65 g/mol. Its IUPAC name is 10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine.

Molecular Properties

Compound Name10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine
PubChem CID121244892
Molecular FormulaC38H25N5O2
Molecular Weight583.65 g/mol
Exact Mass583.20
IUPAC Name10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)n(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C38H25N5O2/c1-2-12-26(13-3-1)37-39-38(42-31-16-6-10-20-35(31)45-36-21-11-7-17-32(36)42)43(40-37)28-24-22-27(23-25-28)41-29-14-4-8-18-33(29)44-34-19-9-5-15-30(34)41/h1-25H
InChIKeyJRMDRLHLZRVKLK-UHFFFAOYSA-N
XLogP10.09
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.65
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine?
The IUPAC name of 10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine (CID 121244892) is 10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine.
What is the SMILES notation for 10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine?
The canonical SMILES for 10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine is c1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)n(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1.
What is the InChIKey of 10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine?
The InChIKey is JRMDRLHLZRVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5O2/c1-2-12-26(13-3-1)37-39-38(42-31-16-6-10-20-35(31)45-36-21-11-7-17-32(36)42)43(40-37)28-24-22-27(23-25-28)41-29-14-4-8-18-33(29)44-34-19-9-5-15-30(34)41/h1-25H.
What are the key properties of 10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine?
10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine has a molecular weight of 583.65 g/mol, XLogP of 10.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-phenoxazin-10-ylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxazine is sourced from PubChem (CID 121244892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).