(2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane

C32H30Si — CID 173383727

IUPAC(2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane
SMILESCc1cc(C)cc([Si](C2=C(Cc3ccccc3)C=CC2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H30Si/c1-25-21-26(2)23-31(22-25)33(29-16-8-4-9-17-29,30-18-10-5-11-19-30)32-20-12-15-28(32)24-27-13-6-3-7-14-27/h3-19,21-23H,20,24H2,1-2H3
InChIKeyVBTKXJUTVCPWQR-UHFFFAOYSA-N
MW442.68 g/mol
LogP5.81
Rot. Bonds6

About (2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane

(2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane (PubChem CID 173383727) has the molecular formula C32H30Si and a molecular weight of 442.68 g/mol. Its IUPAC name is (2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane.

Molecular Properties

Compound Name(2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane
PubChem CID173383727
Molecular FormulaC32H30Si
Molecular Weight442.68 g/mol
Exact Mass442.21
IUPAC Name(2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane
SMILESCc1cc(C)cc([Si](C2=C(Cc3ccccc3)C=CC2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H30Si/c1-25-21-26(2)23-31(22-25)33(29-16-8-4-9-17-29,30-18-10-5-11-19-30)32-20-12-15-28(32)24-27-13-6-3-7-14-27/h3-19,21-23H,20,24H2,1-2H3
InChIKeyVBTKXJUTVCPWQR-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.68
LogP ≤ 55.81
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 (2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane?
The IUPAC name of (2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane (CID 173383727) is (2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane.
What is the SMILES notation for (2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane?
The canonical SMILES for (2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane is Cc1cc(C)cc([Si](C2=C(Cc3ccccc3)C=CC2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane?
The InChIKey is VBTKXJUTVCPWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Si/c1-25-21-26(2)23-31(22-25)33(29-16-8-4-9-17-29,30-18-10-5-11-19-30)32-20-12-15-28(32)24-27-13-6-3-7-14-27/h3-19,21-23H,20,24H2,1-2H3.
What are the key properties of (2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane?
(2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane has a molecular weight of 442.68 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane is sourced from PubChem (CID 173383727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).