9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine

C23H17NOS — CID 59573145

IUPAC9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine
SMILESCc1ccc(N2c3ccccc3Sc3ccoc32)c(-c2ccccc2)c1
InChIInChI=1S/C23H17NOS/c1-16-11-12-19(18(15-16)17-7-3-2-4-8-17)24-20-9-5-6-10-21(20)26-22-13-14-25-23(22)24/h2-15H,1H3
InChIKeyFOGDDPOXIRWCAR-UHFFFAOYSA-N
MW355.46 g/mol
LogP7.19
Rot. Bonds2

About 9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine

9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine (PubChem CID 59573145) has the molecular formula C23H17NOS and a molecular weight of 355.46 g/mol. Its IUPAC name is 9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine
PubChem CID59573145
Molecular FormulaC23H17NOS
Molecular Weight355.46 g/mol
Exact Mass355.10
IUPAC Name9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine
SMILESCc1ccc(N2c3ccccc3Sc3ccoc32)c(-c2ccccc2)c1
InChIInChI=1S/C23H17NOS/c1-16-11-12-19(18(15-16)17-7-3-2-4-8-17)24-20-9-5-6-10-21(20)26-22-13-14-25-23(22)24/h2-15H,1H3
InChIKeyFOGDDPOXIRWCAR-UHFFFAOYSA-N
XLogP7.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
CID 59572850
10-(4-methyl-2-phenylphenyl)phenoselenazine
CID 59572997
3,7-dimethyl-10-(2-phenylphenyl)phenoxazine
CID 59573736
10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide
CID 59573421
6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
CID 59573295
10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine
CID 166527275
2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene
CID 59573086
2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
CID 59572859
1-(4-methyl-2-phenylphenyl)piperidine
CID 57106520
2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine
CID 144918505
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
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

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine?
The IUPAC name of 9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine (CID 59573145) is 9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine?
The canonical SMILES for 9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine is Cc1ccc(N2c3ccccc3Sc3ccoc32)c(-c2ccccc2)c1.
What is the InChIKey of 9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine?
The InChIKey is FOGDDPOXIRWCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NOS/c1-16-11-12-19(18(15-16)17-7-3-2-4-8-17)24-20-9-5-6-10-21(20)26-22-13-14-25-23(22)24/h2-15H,1H3.
What are the key properties of 9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine?
9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine has a molecular weight of 355.46 g/mol, XLogP of 7.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 59573145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).