tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane

C37H48Si — CID 140589121

IUPACtris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](C2=C(C)C=CC2C)(c2cc(CC)cc(CC)c2)c2cc(CC)cc(CC)c2)c1
InChIInChI=1S/C37H48Si/c1-9-28-17-29(10-2)21-34(20-28)38(37-26(7)15-16-27(37)8,35-22-30(11-3)18-31(12-4)23-35)36-24-32(13-5)19-33(14-6)25-36/h15-26H,9-14H2,1-8H3
InChIKeyARFCDEHNWRXXDJ-UHFFFAOYSA-N
MW520.88 g/mol
LogP7.59
Rot. Bonds10

About tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane

tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 140589121) has the molecular formula C37H48Si and a molecular weight of 520.88 g/mol. Its IUPAC name is tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID140589121
Molecular FormulaC37H48Si
Molecular Weight520.88 g/mol
Exact Mass520.35
IUPAC Nametris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](C2=C(C)C=CC2C)(c2cc(CC)cc(CC)c2)c2cc(CC)cc(CC)c2)c1
InChIInChI=1S/C37H48Si/c1-9-28-17-29(10-2)21-34(20-28)38(37-26(7)15-16-27(37)8,35-22-30(11-3)18-31(12-4)23-35)36-24-32(13-5)19-33(14-6)25-36/h15-26H,9-14H2,1-8H3
InChIKeyARFCDEHNWRXXDJ-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.88
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane (CID 140589121) is tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane is CCc1cc(CC)cc([Si](C2=C(C)C=CC2C)(c2cc(CC)cc(CC)c2)c2cc(CC)cc(CC)c2)c1.
What is the InChIKey of tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is ARFCDEHNWRXXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48Si/c1-9-28-17-29(10-2)21-34(20-28)38(37-26(7)15-16-27(37)8,35-22-30(11-3)18-31(12-4)23-35)36-24-32(13-5)19-33(14-6)25-36/h15-26H,9-14H2,1-8H3.
What are the key properties of tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane?
tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 520.88 g/mol, XLogP of 7.59, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 140589121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).