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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Related Compounds

10-(4-methyl-2-phenylphenyl)phenoselenazine
CID 59572997
3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
CID 59572850
3,7-dimethyl-10-(2-phenylphenyl)phenoxazine
CID 59573736
1-(4-methyl-2-phenylphenyl)piperidine
CID 57106520
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
10-[2-(5,5-dioxodibenzothiophen-4-yl)phenyl]phenothiazine 5,5-dioxide
CID 145125649
2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 59573371
9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine
CID 59573145
5,7,10-trimethyl-2,3-diphenylphenazine
CID 18761853
ethane;2-methyl-10,10-dioxothioxanthen-9-one
CID 145125707
(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone
CID 3637684
5-ethyl-3-methyl-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one
CID 121432219

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).