10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide

C25H19NO2S — CID 59573421

IUPAC10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide
SMILESCc1ccc(N2c3ccccc3S(=O)(=O)c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C25H19NO2S/c1-18-15-16-21(20(17-18)19-9-3-2-4-10-19)26-22-11-5-7-13-24(22)29(27,28)25-14-8-6-12-23(25)26/h2-17H,1H3
InChIKeyWQLFASWUKYBDGF-UHFFFAOYSA-N
MW397.50 g/mol
LogP6.28
Rot. Bonds2

About 10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide

10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide (PubChem CID 59573421) has the molecular formula C25H19NO2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide
PubChem CID59573421
Molecular FormulaC25H19NO2S
Molecular Weight397.50 g/mol
Exact Mass397.11
IUPAC Name10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide
SMILESCc1ccc(N2c3ccccc3S(=O)(=O)c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C25H19NO2S/c1-18-15-16-21(20(17-18)19-9-3-2-4-10-19)26-22-11-5-7-13-24(22)29(27,28)25-14-8-6-12-23(25)26/h2-17H,1H3
InChIKeyWQLFASWUKYBDGF-UHFFFAOYSA-N
XLogP6.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide?
The IUPAC name of 10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide (CID 59573421) is 10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide.
What is the SMILES notation for 10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide?
The canonical SMILES for 10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide is Cc1ccc(N2c3ccccc3S(=O)(=O)c3ccccc32)c(-c2ccccc2)c1.
What is the InChIKey of 10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide?
The InChIKey is WQLFASWUKYBDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2S/c1-18-15-16-21(20(17-18)19-9-3-2-4-10-19)26-22-11-5-7-13-24(22)29(27,28)25-14-8-6-12-23(25)26/h2-17H,1H3.
What are the key properties of 10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide?
10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide has a molecular weight of 397.50 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide is sourced from PubChem (CID 59573421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).