(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane

C33H42S2Si — CID 90962571

IUPAC(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
SMILESCC1=CC2C3C=C(C)SC3C([Si](C)(C)C3C(C)CC4C(c5cccc6ccccc56)CCCC43)C2S1
InChIInChI=1S/C33H42S2Si/c1-19-16-27-25(24-13-8-11-22-10-6-7-12-23(22)24)14-9-15-26(27)32(19)36(4,5)33-30-28(17-20(2)34-30)29-18-21(3)35-31(29)33/h6-8,10-13,17-19,25-33H,9,14-16H2,1-5H3
InChIKeyKTRUSWKUQRERJH-UHFFFAOYSA-N
MW530.92 g/mol
LogP10.11
Rot. Bonds3

About (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane

(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane (PubChem CID 90962571) has the molecular formula C33H42S2Si and a molecular weight of 530.92 g/mol. Its IUPAC name is (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Name(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
PubChem CID90962571
Molecular FormulaC33H42S2Si
Molecular Weight530.92 g/mol
Exact Mass530.25
IUPAC Name(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
SMILESCC1=CC2C3C=C(C)SC3C([Si](C)(C)C3C(C)CC4C(c5cccc6ccccc56)CCCC43)C2S1
InChIInChI=1S/C33H42S2Si/c1-19-16-27-25(24-13-8-11-22-10-6-7-12-23(22)24)14-9-15-26(27)32(19)36(4,5)33-30-28(17-20(2)34-30)29-18-21(3)35-31(29)33/h6-8,10-13,17-19,25-33H,9,14-16H2,1-5H3
InChIKeyKTRUSWKUQRERJH-UHFFFAOYSA-N
XLogP10.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.92
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane 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

dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 91269102
bis(4-carbazol-9-yl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 90950614
cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane
CID 162267524
(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane
CID 90779046
dimethyl-(2-methyl-4-quinolin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(4-quinolin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 162298218
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane
CID 162298378
[4-[5-[1-[dimethyl-[2-methyl-4-(2-phenylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]pentyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-(2-phenylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
CID 166038593
(1S,4aS,6aR,10R,10aR,12aS)-1,10-di(phenanthren-1-yl)-1,2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12,12a-octadecahydrotetracene
CID 101142973
[2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 123192416
(4-methyl-2-naphthalen-1-ylcyclohexyl)methanamine
CID 81010085
[4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethylsilane
CID 58907885
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane
CID 91093836

Frequently Asked Questions

What is the IUPAC name of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The IUPAC name of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane (CID 90962571) is (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane.
What is the SMILES notation for (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The canonical SMILES for (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane is CC1=CC2C3C=C(C)SC3C([Si](C)(C)C3C(C)CC4C(c5cccc6ccccc56)CCCC43)C2S1.
What is the InChIKey of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The InChIKey is KTRUSWKUQRERJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42S2Si/c1-19-16-27-25(24-13-8-11-22-10-6-7-12-23(22)24)14-9-15-26(27)32(19)36(4,5)33-30-28(17-20(2)34-30)29-18-21(3)35-31(29)33/h6-8,10-13,17-19,25-33H,9,14-16H2,1-5H3.
What are the key properties of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane has a molecular weight of 530.92 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-(2-methyl-4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 90962571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).