8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C28H20Si — CID 59718161

IUPAC8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cccc4cccc2c34)cc1
InChIInChI=1S/C28H20Si/c1-3-13-22(14-4-1)29(23-15-5-2-6-16-23)26-19-8-7-17-24(26)25-18-9-11-21-12-10-20-27(29)28(21)25/h1-20H
InChIKeyBMLBQOPJFPSWGF-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.20
Rot. Bonds2

About 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 59718161) has the molecular formula C28H20Si and a molecular weight of 384.55 g/mol. Its IUPAC name is 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID59718161
Molecular FormulaC28H20Si
Molecular Weight384.55 g/mol
Exact Mass384.13
IUPAC Name8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cccc4cccc2c34)cc1
InChIInChI=1S/C28H20Si/c1-3-13-22(14-4-1)29(23-15-5-2-6-16-23)26-19-8-7-17-24(26)25-18-9-11-21-12-10-20-27(29)28(21)25/h1-20H
InChIKeyBMLBQOPJFPSWGF-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

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2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
CID 176643494
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triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane
CID 140775193
12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene
CID 140775315
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CID 140560435
17-methyl-9,9-diphenyl-9-silapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 153488377
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Frequently Asked Questions

What is the IUPAC name of 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 59718161) is 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cccc4cccc2c34)cc1.
What is the InChIKey of 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is BMLBQOPJFPSWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Si/c1-3-13-22(14-4-1)29(23-15-5-2-6-16-23)26-19-8-7-17-24(26)25-18-9-11-21-12-10-20-27(29)28(21)25/h1-20H.
What are the key properties of 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 384.55 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 59718161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).