2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine

C35H22N4OS — CID 90201571

IUPAC2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc4cc5c(cc4s3)Oc3ccccc3N5c3ccccc3)n2)cc1
InChIInChI=1S/C35H22N4OS/c1-4-12-23(13-5-1)26-20-27(24-14-6-2-7-15-24)37-34(36-26)35-38-28-21-30-32(22-33(28)41-35)40-31-19-11-10-18-29(31)39(30)25-16-8-3-9-17-25/h1-22H
InChIKeyHRMZOPFQVNHZCZ-UHFFFAOYSA-N
MW546.66 g/mol
LogP9.66
Rot. Bonds4

About 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine

2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine (PubChem CID 90201571) has the molecular formula C35H22N4OS and a molecular weight of 546.66 g/mol. Its IUPAC name is 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine.

Molecular Properties

Compound Name2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine
PubChem CID90201571
Molecular FormulaC35H22N4OS
Molecular Weight546.66 g/mol
Exact Mass546.15
IUPAC Name2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc4cc5c(cc4s3)Oc3ccccc3N5c3ccccc3)n2)cc1
InChIInChI=1S/C35H22N4OS/c1-4-12-23(13-5-1)26-20-27(24-14-6-2-7-15-24)37-34(36-26)35-38-28-21-30-32(22-33(28)41-35)40-31-19-11-10-18-29(31)39(30)25-16-8-3-9-17-25/h1-22H
InChIKeyHRMZOPFQVNHZCZ-UHFFFAOYSA-N
XLogP9.66
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.66
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]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 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine?
The IUPAC name of 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine (CID 90201571) is 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine.
What is the SMILES notation for 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine?
The canonical SMILES for 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3nc4cc5c(cc4s3)Oc3ccccc3N5c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine?
The InChIKey is HRMZOPFQVNHZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4OS/c1-4-12-23(13-5-1)26-20-27(24-14-6-2-7-15-24)37-34(36-26)35-38-28-21-30-32(22-33(28)41-35)40-31-19-11-10-18-29(31)39(30)25-16-8-3-9-17-25/h1-22H.
What are the key properties of 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine?
2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine has a molecular weight of 546.66 g/mol, XLogP of 9.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1,3]thiazolo[4,5-b]phenoxazine is sourced from PubChem (CID 90201571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).