bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane

C32H32O2Si — CID 70013263

IUPACbis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane
SMILESCC1=CC(c2occ3ccccc23)=C([Si](C)(C)C2=C(c3occ4ccccc34)C=C(C)C2C)C1C
InChIInChI=1S/C32H32O2Si/c1-19-15-27(29-25-13-9-7-11-23(25)17-33-29)31(21(19)3)35(5,6)32-22(4)20(2)16-28(32)30-26-14-10-8-12-24(26)18-34-30/h7-18,21-22H,1-6H3
InChIKeyPLJCKZPIAFOFEB-UHFFFAOYSA-N
MW476.69 g/mol
LogP9.37
Rot. Bonds4

About bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane

bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane (PubChem CID 70013263) has the molecular formula C32H32O2Si and a molecular weight of 476.69 g/mol. Its IUPAC name is bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane
PubChem CID70013263
Molecular FormulaC32H32O2Si
Molecular Weight476.69 g/mol
Exact Mass476.22
IUPAC Namebis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane
SMILESCC1=CC(c2occ3ccccc23)=C([Si](C)(C)C2=C(c3occ4ccccc34)C=C(C)C2C)C1C
InChIInChI=1S/C32H32O2Si/c1-19-15-27(29-25-13-9-7-11-23(25)17-33-29)31(21(19)3)35(5,6)32-22(4)20(2)16-28(32)30-26-14-10-8-12-24(26)18-34-30/h7-18,21-22H,1-6H3
InChIKeyPLJCKZPIAFOFEB-UHFFFAOYSA-N
XLogP9.37
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane?
The IUPAC name of bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane (CID 70013263) is bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane.
What is the SMILES notation for bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane?
The canonical SMILES for bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane is CC1=CC(c2occ3ccccc23)=C([Si](C)(C)C2=C(c3occ4ccccc34)C=C(C)C2C)C1C.
What is the InChIKey of bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane?
The InChIKey is PLJCKZPIAFOFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O2Si/c1-19-15-27(29-25-13-9-7-11-23(25)17-33-29)31(21(19)3)35(5,6)32-22(4)20(2)16-28(32)30-26-14-10-8-12-24(26)18-34-30/h7-18,21-22H,1-6H3.
What are the key properties of bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane?
bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane has a molecular weight of 476.69 g/mol, XLogP of 9.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-benzofuran-1-yl)-4,5-dimethylcyclopenta-1,3-dien-1-yl]-dimethylsilane is sourced from PubChem (CID 70013263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).