3,7-dimethyl-10-(2-phenylphenyl)phenothiazine

C26H21NS — CID 59572850

IUPAC3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccccc1-c1ccccc1
InChIInChI=1S/C26H21NS/c1-18-12-14-23-25(16-18)28-26-17-19(2)13-15-24(26)27(23)22-11-7-6-10-21(22)20-8-4-3-5-9-20/h3-17H,1-2H3
InChIKeyPPEMRIVWCBKTFR-UHFFFAOYSA-N
MW379.53 g/mol
LogP7.90
Rot. Bonds2

About 3,7-dimethyl-10-(2-phenylphenyl)phenothiazine

3,7-dimethyl-10-(2-phenylphenyl)phenothiazine (PubChem CID 59572850) has the molecular formula C26H21NS and a molecular weight of 379.53 g/mol. Its IUPAC name is 3,7-dimethyl-10-(2-phenylphenyl)phenothiazine.

Molecular Properties

Compound Name3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
PubChem CID59572850
Molecular FormulaC26H21NS
Molecular Weight379.53 g/mol
Exact Mass379.14
IUPAC Name3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccccc1-c1ccccc1
InChIInChI=1S/C26H21NS/c1-18-12-14-23-25(16-18)28-26-17-19(2)13-15-24(26)27(23)22-11-7-6-10-21(22)20-8-4-3-5-9-20/h3-17H,1-2H3
InChIKeyPPEMRIVWCBKTFR-UHFFFAOYSA-N
XLogP7.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dimethyl-10-(2-phenylphenyl)phenoxazine
CID 59573736
9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine
CID 59573145
10-(4-methyl-2-phenylphenyl)phenoselenazine
CID 59572997
10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide
CID 59573421
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
CID 59572859
18,24-dimethyl-10'-phenyl-15-(2-phenylphenyl)spiro[21-thia-15-aza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16(28),17,19,22(27),23,25-dodecaene-11,9'-acridine]
CID 176740970
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-3-methyl-7-phenylphenothiazine;10-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine
CID 160914738
5,7,10-trimethyl-2,3-diphenylphenazine
CID 18761853
2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine
CID 144918505
10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine
CID 166527275
10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine
CID 59184123

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-10-(2-phenylphenyl)phenothiazine?
The IUPAC name of 3,7-dimethyl-10-(2-phenylphenyl)phenothiazine (CID 59572850) is 3,7-dimethyl-10-(2-phenylphenyl)phenothiazine.
What is the SMILES notation for 3,7-dimethyl-10-(2-phenylphenyl)phenothiazine?
The canonical SMILES for 3,7-dimethyl-10-(2-phenylphenyl)phenothiazine is Cc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccccc1-c1ccccc1.
What is the InChIKey of 3,7-dimethyl-10-(2-phenylphenyl)phenothiazine?
The InChIKey is PPEMRIVWCBKTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NS/c1-18-12-14-23-25(16-18)28-26-17-19(2)13-15-24(26)27(23)22-11-7-6-10-21(22)20-8-4-3-5-9-20/h3-17H,1-2H3.
What are the key properties of 3,7-dimethyl-10-(2-phenylphenyl)phenothiazine?
3,7-dimethyl-10-(2-phenylphenyl)phenothiazine has a molecular weight of 379.53 g/mol, XLogP of 7.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-10-(2-phenylphenyl)phenothiazine is sourced from PubChem (CID 59572850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).