14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

C31H22SSi — CID 147689872

IUPAC14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCc1cccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)sc2ccccc24)c1
InChIInChI=1S/C31H22SSi/c1-21-10-9-13-23(18-21)33(22-11-3-2-4-12-22)30-17-8-6-15-25(30)27-19-26-24-14-5-7-16-28(24)32-29(26)20-31(27)33/h2-20H,1H3
InChIKeyGQTISUXQHJGTLD-UHFFFAOYSA-N
MW454.67 g/mol
LogP5.72
Rot. Bonds2

About 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 147689872) has the molecular formula C31H22SSi and a molecular weight of 454.67 g/mol. Its IUPAC name is 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID147689872
Molecular FormulaC31H22SSi
Molecular Weight454.67 g/mol
Exact Mass454.12
IUPAC Name14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCc1cccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)sc2ccccc24)c1
InChIInChI=1S/C31H22SSi/c1-21-10-9-13-23(18-21)33(22-11-3-2-4-12-22)30-17-8-6-15-25(30)27-19-26-24-14-5-7-16-28(24)32-29(26)20-31(27)33/h2-20H,1H3
InChIKeyGQTISUXQHJGTLD-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.67
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

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18-methyl-10,10-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
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5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
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17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 149181119

Frequently Asked Questions

What is the IUPAC name of 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 147689872) is 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is Cc1cccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)sc2ccccc24)c1.
What is the InChIKey of 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is GQTISUXQHJGTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22SSi/c1-21-10-9-13-23(18-21)33(22-11-3-2-4-12-22)30-17-8-6-15-25(30)27-19-26-24-14-5-7-16-28(24)32-29(26)20-31(27)33/h2-20H,1H3.
What are the key properties of 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 454.67 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 147689872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).