3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one

C15H12I2OSi — CID 140745610

IUPAC3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one
SMILESC[Si]1(C)c2cc(I)ccc2C(=O)c2ccc(I)cc21
InChIInChI=1S/C15H12I2OSi/c1-19(2)13-7-9(16)3-5-11(13)15(18)12-6-4-10(17)8-14(12)19/h3-8H,1-2H3
InChIKeyLTZOXXBYFTWWHG-UHFFFAOYSA-N
MW490.15 g/mol
LogP3.26
Rot. Bonds

About 3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one

3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one (PubChem CID 140745610) has the molecular formula C15H12I2OSi and a molecular weight of 490.15 g/mol. Its IUPAC name is 3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one.

Molecular Properties

Compound Name3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one
PubChem CID140745610
Molecular FormulaC15H12I2OSi
Molecular Weight490.15 g/mol
Exact Mass489.87
IUPAC Name3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one
SMILESC[Si]1(C)c2cc(I)ccc2C(=O)c2ccc(I)cc21
InChIInChI=1S/C15H12I2OSi/c1-19(2)13-7-9(16)3-5-11(13)15(18)12-6-4-10(17)8-14(12)19/h3-8H,1-2H3
InChIKeyLTZOXXBYFTWWHG-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.15
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one?
The IUPAC name of 3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one (CID 140745610) is 3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one.
What is the SMILES notation for 3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one?
The canonical SMILES for 3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one is C[Si]1(C)c2cc(I)ccc2C(=O)c2ccc(I)cc21.
What is the InChIKey of 3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one?
The InChIKey is LTZOXXBYFTWWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12I2OSi/c1-19(2)13-7-9(16)3-5-11(13)15(18)12-6-4-10(17)8-14(12)19/h3-8H,1-2H3.
What are the key properties of 3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one?
3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one has a molecular weight of 490.15 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one is sourced from PubChem (CID 140745610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).