(7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane

C26H30S2Si3 — CID 15860531

IUPAC(7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane
SMILESC[Si](C)(C)c1cc2c(s1)-c1sc([Si](C)(C)C)cc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30S2Si3/c1-29(2,3)23-17-21-25(27-23)26-22(18-24(28-26)30(4,5)6)31(21,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,1-6H3
InChIKeyXWDOQFMZZAOVDR-UHFFFAOYSA-N
MW490.92 g/mol
LogP4.26
Rot. Bonds4

About (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane

(7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane (PubChem CID 15860531) has the molecular formula C26H30S2Si3 and a molecular weight of 490.92 g/mol. Its IUPAC name is (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane.

Molecular Properties

Compound Name(7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane
PubChem CID15860531
Molecular FormulaC26H30S2Si3
Molecular Weight490.92 g/mol
Exact Mass490.11
IUPAC Name(7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane
SMILESC[Si](C)(C)c1cc2c(s1)-c1sc([Si](C)(C)C)cc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30S2Si3/c1-29(2,3)23-17-21-25(27-23)26-22(18-24(28-26)30(4,5)6)31(21,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,1-6H3
InChIKeyXWDOQFMZZAOVDR-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.92
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane?
The IUPAC name of (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane (CID 15860531) is (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane.
What is the SMILES notation for (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane?
The canonical SMILES for (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane is C[Si](C)(C)c1cc2c(s1)-c1sc([Si](C)(C)C)cc1[Si]2(c1ccccc1)c1ccccc1.
What is the InChIKey of (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane?
The InChIKey is XWDOQFMZZAOVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30S2Si3/c1-29(2,3)23-17-21-25(27-23)26-22(18-24(28-26)30(4,5)6)31(21,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,1-6H3.
What are the key properties of (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane?
(7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane has a molecular weight of 490.92 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-diphenyl-10-trimethylsilyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-trimethylsilane is sourced from PubChem (CID 15860531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).