3-methyl-10-phenylphenothiazine

C19H15NS — CID 59428685

IUPAC3-methyl-10-phenylphenothiazine
SMILESCc1ccc2c(c1)Sc1ccccc1N2c1ccccc1
InChIInChI=1S/C19H15NS/c1-14-11-12-17-19(13-14)21-18-10-6-5-9-16(18)20(17)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyLBWRTYPQMCEJIP-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.93
Rot. Bonds1

About 3-methyl-10-phenylphenothiazine

3-methyl-10-phenylphenothiazine (PubChem CID 59428685) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-methyl-10-phenylphenothiazine.

Molecular Properties

Compound Name3-methyl-10-phenylphenothiazine
PubChem CID59428685
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name3-methyl-10-phenylphenothiazine
SMILESCc1ccc2c(c1)Sc1ccccc1N2c1ccccc1
InChIInChI=1S/C19H15NS/c1-14-11-12-17-19(13-14)21-18-10-6-5-9-16(18)20(17)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyLBWRTYPQMCEJIP-UHFFFAOYSA-N
XLogP5.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-phenylphenothiazine?
The IUPAC name of 3-methyl-10-phenylphenothiazine (CID 59428685) is 3-methyl-10-phenylphenothiazine.
What is the SMILES notation for 3-methyl-10-phenylphenothiazine?
The canonical SMILES for 3-methyl-10-phenylphenothiazine is Cc1ccc2c(c1)Sc1ccccc1N2c1ccccc1.
What is the InChIKey of 3-methyl-10-phenylphenothiazine?
The InChIKey is LBWRTYPQMCEJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c1-14-11-12-17-19(13-14)21-18-10-6-5-9-16(18)20(17)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of 3-methyl-10-phenylphenothiazine?
3-methyl-10-phenylphenothiazine has a molecular weight of 289.40 g/mol, XLogP of 5.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-phenylphenothiazine is sourced from PubChem (CID 59428685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).