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

C32H21N5OS — CID 121244887

IUPAC10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine
SMILESc1ccc(-n2nc(N3c4ccccc4Oc4ccccc43)nc2N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C32H21N5OS/c1-2-12-22(13-3-1)37-32(36-25-16-6-10-20-29(25)39-30-21-11-7-17-26(30)36)33-31(34-37)35-23-14-4-8-18-27(23)38-28-19-9-5-15-24(28)35/h1-21H
InChIKeyGFOWNPHJEKJRMY-UHFFFAOYSA-N
MW523.62 g/mol
LogP8.78
Rot. Bonds3

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

10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine (PubChem CID 121244887) has the molecular formula C32H21N5OS and a molecular weight of 523.62 g/mol. Its IUPAC name is 10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine.

Molecular Properties

Compound Name10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine
PubChem CID121244887
Molecular FormulaC32H21N5OS
Molecular Weight523.62 g/mol
Exact Mass523.15
IUPAC Name10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine
SMILESc1ccc(-n2nc(N3c4ccccc4Oc4ccccc43)nc2N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C32H21N5OS/c1-2-12-22(13-3-1)37-32(36-25-16-6-10-20-29(25)39-30-21-11-7-17-26(30)36)33-31(34-37)35-23-14-4-8-18-27(23)38-28-19-9-5-15-24(28)35/h1-21H
InChIKeyGFOWNPHJEKJRMY-UHFFFAOYSA-N
XLogP8.78
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.62
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine?
The IUPAC name of 10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine (CID 121244887) is 10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine.
What is the SMILES notation for 10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine?
The canonical SMILES for 10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine is c1ccc(-n2nc(N3c4ccccc4Oc4ccccc43)nc2N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine?
The InChIKey is GFOWNPHJEKJRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N5OS/c1-2-12-22(13-3-1)37-32(36-25-16-6-10-20-29(25)39-30-21-11-7-17-26(30)36)33-31(34-37)35-23-14-4-8-18-27(23)38-28-19-9-5-15-24(28)35/h1-21H.
What are the key properties of 10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine?
10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine has a molecular weight of 523.62 g/mol, XLogP of 8.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-phenothiazin-10-yl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine is sourced from PubChem (CID 121244887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).