CID 11981400

C42H42O2Si3 — CID 11981400

IUPAC—
SMILESc1ccc(C[Si](Cc2ccccc2)(Cc2ccccc2)O[Si]O[Si](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C42H42O2Si3/c1-7-19-37(20-8-1)31-46(32-38-21-9-2-10-22-38,33-39-23-11-3-12-24-39)43-45-44-47(34-40-25-13-4-14-26-40,35-41-27-15-5-16-28-41)36-42-29-17-6-18-30-42/h1-30H,31-36H2
InChIKeyBIDKKNWNNRVTND-UHFFFAOYSA-N
MW663.05 g/mol
LogP9.14
Rot. Bonds16

About CID 11981400

CID 11981400 (PubChem CID 11981400) has the molecular formula C42H42O2Si3 and a molecular weight of 663.05 g/mol.

Molecular Properties

Compound NameCID 11981400
PubChem CID11981400
Molecular FormulaC42H42O2Si3
Molecular Weight663.05 g/mol
Exact Mass662.25
IUPAC Name—
SMILESc1ccc(C[Si](Cc2ccccc2)(Cc2ccccc2)O[Si]O[Si](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C42H42O2Si3/c1-7-19-37(20-8-1)31-46(32-38-21-9-2-10-22-38,33-39-23-11-3-12-24-39)43-45-44-47(34-40-25-13-4-14-26-40,35-41-27-15-5-16-28-41)36-42-29-17-6-18-30-42/h1-30H,31-36H2
InChIKeyBIDKKNWNNRVTND-UHFFFAOYSA-N
XLogP9.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.05
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 139887801
benzyl-[4-[benzyl(dimethyl)silyl]but-2-enyl]-dimethylsilane
CID 86114708
benzyl-fluoro-dimethylsilane
CID 11105764
benzyl-dihydroxy-methylsilane
CID 69074928
[amino(diethoxy)silyl]methylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 11981400?
The IUPAC name of CID 11981400 (CID 11981400) is not available.
What is the SMILES notation for CID 11981400?
The canonical SMILES for CID 11981400 is c1ccc(C[Si](Cc2ccccc2)(Cc2ccccc2)O[Si]O[Si](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of CID 11981400?
The InChIKey is BIDKKNWNNRVTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42O2Si3/c1-7-19-37(20-8-1)31-46(32-38-21-9-2-10-22-38,33-39-23-11-3-12-24-39)43-45-44-47(34-40-25-13-4-14-26-40,35-41-27-15-5-16-28-41)36-42-29-17-6-18-30-42/h1-30H,31-36H2.
What are the key properties of CID 11981400?
CID 11981400 has a molecular weight of 663.05 g/mol, XLogP of 9.14, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11981400 is sourced from PubChem (CID 11981400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).