(12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene

C34H33N3O6S — CID 122369739

IUPAC(12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene
SMILESCOc1cc(/C=C2\SCc3c2nc2c(c(C)nn2-c2ccccc2)c3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C34H33N3O6S/c1-19-29-30(21-16-26(40-4)33(43-7)27(17-21)41-5)23-18-44-28(15-20-13-24(38-2)32(42-6)25(14-20)39-3)31(23)35-34(29)37(36-19)22-11-9-8-10-12-22/h8-17H,18H2,1-7H3/b28-15-
InChIKeyRVJHLSSDBZDWSX-MBTHVWNTSA-N
MW611.72 g/mol
LogP7.19
Rot. Bonds9

About (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene

(12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene (PubChem CID 122369739) has the molecular formula C34H33N3O6S and a molecular weight of 611.72 g/mol. Its IUPAC name is (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene.

Molecular Properties

Compound Name(12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene
PubChem CID122369739
Molecular FormulaC34H33N3O6S
Molecular Weight611.72 g/mol
Exact Mass611.21
IUPAC Name(12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene
SMILESCOc1cc(/C=C2\SCc3c2nc2c(c(C)nn2-c2ccccc2)c3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C34H33N3O6S/c1-19-29-30(21-16-26(40-4)33(43-7)27(17-21)41-5)23-18-44-28(15-20-13-24(38-2)32(42-6)25(14-20)39-3)31(23)35-34(29)37(36-19)22-11-9-8-10-12-22/h8-17H,18H2,1-7H3/b28-15-
InChIKeyRVJHLSSDBZDWSX-MBTHVWNTSA-N
XLogP7.19
TPSA86.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.72
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-Methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134139965
6-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134146742
6-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134153469
6-Amino-1-(3,4-dimethylphenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 667260
7,8-dimethoxy-1-methyl-5-(2-methylphenyl)-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline
CID 1366180
6-amino-1-(4-fluorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4891871
1-(3-Methoxyphenyl)-5-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
CID 25268580
7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline
CID 1113680
3-(3,4-Dimethoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 15991497
6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4888096
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4890247
6-amino-3-methyl-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4893324

Frequently Asked Questions

What is the IUPAC name of (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene?
The IUPAC name of (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene (CID 122369739) is (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene.
What is the SMILES notation for (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene?
The canonical SMILES for (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene is COc1cc(/C=C2\SCc3c2nc2c(c(C)nn2-c2ccccc2)c3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene?
The InChIKey is RVJHLSSDBZDWSX-MBTHVWNTSA-N. The full InChI is InChI=1S/C34H33N3O6S/c1-19-29-30(21-16-26(40-4)33(43-7)27(17-21)41-5)23-18-44-28(15-20-13-24(38-2)32(42-6)25(14-20)39-3)31(23)35-34(29)37(36-19)22-11-9-8-10-12-22/h8-17H,18H2,1-7H3/b28-15-.
What are the key properties of (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene?
(12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene has a molecular weight of 611.72 g/mol, XLogP of 7.19, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-6-methyl-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12-[(3,4,5-trimethoxyphenyl)methylidene]-11-thia-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene is sourced from PubChem (CID 122369739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).