CID 45050176

C32H27O2Si — CID 45050176

IUPAC—
SMILESc1ccc(C(O[Si](OC(c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H27O2Si/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)33-35(30-24-14-5-15-25-30)34-32(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-25,31-32H
InChIKeySYAHYYWDUBLOCH-UHFFFAOYSA-N
MW471.65 g/mol
LogP6.99
Rot. Bonds9

About CID 45050176

CID 45050176 (PubChem CID 45050176) has the molecular formula C32H27O2Si and a molecular weight of 471.65 g/mol.

Molecular Properties

Compound NameCID 45050176
PubChem CID45050176
Molecular FormulaC32H27O2Si
Molecular Weight471.65 g/mol
Exact Mass471.18
IUPAC Name—
SMILESc1ccc(C(O[Si](OC(c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H27O2Si/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)33-35(30-24-14-5-15-25-30)34-32(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-25,31-32H
InChIKeySYAHYYWDUBLOCH-UHFFFAOYSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 56.99
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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Triphenylsilicon
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Frequently Asked Questions

What is the IUPAC name of CID 45050176?
The IUPAC name of CID 45050176 (CID 45050176) is not available.
What is the SMILES notation for CID 45050176?
The canonical SMILES for CID 45050176 is c1ccc(C(O[Si](OC(c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 45050176?
The InChIKey is SYAHYYWDUBLOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27O2Si/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)33-35(30-24-14-5-15-25-30)34-32(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-25,31-32H.
What are the key properties of CID 45050176?
CID 45050176 has a molecular weight of 471.65 g/mol, XLogP of 6.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45050176 is sourced from PubChem (CID 45050176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).