tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane

C38H50Si — CID 140852278

IUPACtris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](c2cc(CC)cc(CC)c2)(c2cc(CC)cc(CC)c2)C2C=CC(C(C)C)=C2)c1
InChIInChI=1S/C38H50Si/c1-9-28-17-29(10-2)21-36(20-28)39(35-16-15-34(26-35)27(7)8,37-22-30(11-3)18-31(12-4)23-37)38-24-32(13-5)19-33(14-6)25-38/h15-27,35H,9-14H2,1-8H3
InChIKeyFMIFNDHLELGCPC-UHFFFAOYSA-N
MW534.90 g/mol
LogP8.05
Rot. Bonds11

About tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane

tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 140852278) has the molecular formula C38H50Si and a molecular weight of 534.90 g/mol. Its IUPAC name is tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
PubChem CID140852278
Molecular FormulaC38H50Si
Molecular Weight534.90 g/mol
Exact Mass534.37
IUPAC Nametris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](c2cc(CC)cc(CC)c2)(c2cc(CC)cc(CC)c2)C2C=CC(C(C)C)=C2)c1
InChIInChI=1S/C38H50Si/c1-9-28-17-29(10-2)21-36(20-28)39(35-16-15-34(26-35)27(7)8,37-22-30(11-3)18-31(12-4)23-37)38-24-32(13-5)19-33(14-6)25-38/h15-27,35H,9-14H2,1-8H3
InChIKeyFMIFNDHLELGCPC-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.90
LogP ≤ 58.05
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'}

Analyze tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-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

Frequently Asked Questions

What is the IUPAC name of tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane (CID 140852278) is tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane is CCc1cc(CC)cc([Si](c2cc(CC)cc(CC)c2)(c2cc(CC)cc(CC)c2)C2C=CC(C(C)C)=C2)c1.
What is the InChIKey of tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is FMIFNDHLELGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50Si/c1-9-28-17-29(10-2)21-36(20-28)39(35-16-15-34(26-35)27(7)8,37-22-30(11-3)18-31(12-4)23-37)38-24-32(13-5)19-33(14-6)25-38/h15-27,35H,9-14H2,1-8H3.
What are the key properties of tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 534.90 g/mol, XLogP of 8.05, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 140852278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).