4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole

C34H30Si2 — CID 59133595

IUPAC4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3ccccc3-c3cccc4c3[Si](C)(C)c3ccccc3-4)c21
InChIInChI=1S/C34H30Si2/c1-35(2)31-21-9-7-15-25(31)29-19-11-17-27(33(29)35)23-13-5-6-14-24(23)28-18-12-20-30-26-16-8-10-22-32(26)36(3,4)34(28)30/h5-22H,1-4H3
InChIKeyVFBRVGGSWUNDOE-UHFFFAOYSA-N
MW494.79 g/mol
LogP6.63
Rot. Bonds2

About 4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole

4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole (PubChem CID 59133595) has the molecular formula C34H30Si2 and a molecular weight of 494.79 g/mol. Its IUPAC name is 4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
PubChem CID59133595
Molecular FormulaC34H30Si2
Molecular Weight494.79 g/mol
Exact Mass494.19
IUPAC Name4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3ccccc3-c3cccc4c3[Si](C)(C)c3ccccc3-4)c21
InChIInChI=1S/C34H30Si2/c1-35(2)31-21-9-7-15-25(31)29-19-11-17-27(33(29)35)23-13-5-6-14-24(23)28-18-12-20-30-26-16-8-10-22-32(26)36(3,4)34(28)30/h5-22H,1-4H3
InChIKeyVFBRVGGSWUNDOE-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.79
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole?
The IUPAC name of 4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole (CID 59133595) is 4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole?
The canonical SMILES for 4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole is C[Si]1(C)c2ccccc2-c2cccc(-c3ccccc3-c3cccc4c3[Si](C)(C)c3ccccc3-4)c21.
What is the InChIKey of 4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole?
The InChIKey is VFBRVGGSWUNDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30Si2/c1-35(2)31-21-9-7-15-25(31)29-19-11-17-27(33(29)35)23-13-5-6-14-24(23)28-18-12-20-30-26-16-8-10-22-32(26)36(3,4)34(28)30/h5-22H,1-4H3.
What are the key properties of 4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole?
4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole has a molecular weight of 494.79 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 59133595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).