CID 136812098

C39H33Si — CID 136812098

IUPAC—
SMILESc1ccc(C(c2ccccc2)[Si](C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H33Si/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)40(38(33-23-11-3-12-24-33)34-25-13-4-14-26-34)39(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-39H
InChIKeyFPMHUBBWBRYWPL-UHFFFAOYSA-N
MW529.78 g/mol
LogP9.60
Rot. Bonds9

About CID 136812098

CID 136812098 (PubChem CID 136812098) has the molecular formula C39H33Si and a molecular weight of 529.78 g/mol.

Molecular Properties

Compound NameCID 136812098
PubChem CID136812098
Molecular FormulaC39H33Si
Molecular Weight529.78 g/mol
Exact Mass529.24
IUPAC Name—
SMILESc1ccc(C(c2ccccc2)[Si](C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H33Si/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)40(38(33-23-11-3-12-24-33)34-25-13-4-14-26-34)39(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-39H
InChIKeyFPMHUBBWBRYWPL-UHFFFAOYSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.78
LogP ≤ 59.60
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 CID 136812098?
The IUPAC name of CID 136812098 (CID 136812098) is not available.
What is the SMILES notation for CID 136812098?
The canonical SMILES for CID 136812098 is c1ccc(C(c2ccccc2)[Si](C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 136812098?
The InChIKey is FPMHUBBWBRYWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33Si/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)40(38(33-23-11-3-12-24-33)34-25-13-4-14-26-34)39(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-39H.
What are the key properties of CID 136812098?
CID 136812098 has a molecular weight of 529.78 g/mol, XLogP of 9.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136812098 is sourced from PubChem (CID 136812098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).