2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine

C34H21N5OS — CID 118531845

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3nc4cc5c(cc4s3)N(c3ccccc3)c3ccccc3O5)n2)cc1
InChIInChI=1S/C34H21N5OS/c1-4-12-22(13-5-1)31-36-32(23-14-6-2-7-15-23)38-33(37-31)34-35-25-20-29-27(21-30(25)41-34)39(24-16-8-3-9-17-24)26-18-10-11-19-28(26)40-29/h1-21H
InChIKeyAGRGSFSHZKFSAS-UHFFFAOYSA-N
MW547.64 g/mol
LogP9.06
Rot. Bonds4

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine (PubChem CID 118531845) has the molecular formula C34H21N5OS and a molecular weight of 547.64 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine
PubChem CID118531845
Molecular FormulaC34H21N5OS
Molecular Weight547.64 g/mol
Exact Mass547.15
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3nc4cc5c(cc4s3)N(c3ccccc3)c3ccccc3O5)n2)cc1
InChIInChI=1S/C34H21N5OS/c1-4-12-22(13-5-1)31-36-32(23-14-6-2-7-15-23)38-33(37-31)34-35-25-20-29-27(21-30(25)41-34)39(24-16-8-3-9-17-24)26-18-10-11-19-28(26)40-29/h1-21H
InChIKeyAGRGSFSHZKFSAS-UHFFFAOYSA-N
XLogP9.06
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.64
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine (CID 118531845) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3nc4cc5c(cc4s3)N(c3ccccc3)c3ccccc3O5)n2)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine?
The InChIKey is AGRGSFSHZKFSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N5OS/c1-4-12-22(13-5-1)31-36-32(23-14-6-2-7-15-23)38-33(37-31)34-35-25-20-29-27(21-30(25)41-34)39(24-16-8-3-9-17-24)26-18-10-11-19-28(26)40-29/h1-21H.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine has a molecular weight of 547.64 g/mol, XLogP of 9.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine is sourced from PubChem (CID 118531845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).