1,2-diphenyl-10H-phenothiazine

C24H17NS — CID 91018279

IUPAC1,2-diphenyl-10H-phenothiazine
SMILESc1ccc(-c2ccc3c(c2-c2ccccc2)Nc2ccccc2S3)cc1
InChIInChI=1S/C24H17NS/c1-3-9-17(10-4-1)19-15-16-22-24(23(19)18-11-5-2-6-12-18)25-20-13-7-8-14-21(20)26-22/h1-16,25H
InChIKeyOWULNBJRNCBABQ-UHFFFAOYSA-N
MW351.47 g/mol
LogP7.23
Rot. Bonds2

About 1,2-diphenyl-10H-phenothiazine

1,2-diphenyl-10H-phenothiazine (PubChem CID 91018279) has the molecular formula C24H17NS and a molecular weight of 351.47 g/mol. Its IUPAC name is 1,2-diphenyl-10H-phenothiazine.

Molecular Properties

Compound Name1,2-diphenyl-10H-phenothiazine
PubChem CID91018279
Molecular FormulaC24H17NS
Molecular Weight351.47 g/mol
Exact Mass351.11
IUPAC Name1,2-diphenyl-10H-phenothiazine
SMILESc1ccc(-c2ccc3c(c2-c2ccccc2)Nc2ccccc2S3)cc1
InChIInChI=1S/C24H17NS/c1-3-9-17(10-4-1)19-15-16-22-24(23(19)18-11-5-2-6-12-18)25-20-13-7-8-14-21(20)26-22/h1-16,25H
InChIKeyOWULNBJRNCBABQ-UHFFFAOYSA-N
XLogP7.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-10H-phenothiazine?
The IUPAC name of 1,2-diphenyl-10H-phenothiazine (CID 91018279) is 1,2-diphenyl-10H-phenothiazine.
What is the SMILES notation for 1,2-diphenyl-10H-phenothiazine?
The canonical SMILES for 1,2-diphenyl-10H-phenothiazine is c1ccc(-c2ccc3c(c2-c2ccccc2)Nc2ccccc2S3)cc1.
What is the InChIKey of 1,2-diphenyl-10H-phenothiazine?
The InChIKey is OWULNBJRNCBABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NS/c1-3-9-17(10-4-1)19-15-16-22-24(23(19)18-11-5-2-6-12-18)25-20-13-7-8-14-21(20)26-22/h1-16,25H.
What are the key properties of 1,2-diphenyl-10H-phenothiazine?
1,2-diphenyl-10H-phenothiazine has a molecular weight of 351.47 g/mol, XLogP of 7.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-10H-phenothiazine is sourced from PubChem (CID 91018279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).