CID 22402180

C54H45Si3V — CID 22402180

IUPAC—
SMILES[V].c1ccc([Si](c2ccccc2)c2ccccc2)cc1.c1ccc([Si](c2ccccc2)c2ccccc2)cc1.c1ccc([Si](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15Si.V/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*1-15H;
InChIKeyHPAYCDFMVPROLD-UHFFFAOYSA-N
MW829.16 g/mol
LogP6.61
Rot. Bonds9

About CID 22402180

CID 22402180 (PubChem CID 22402180) has the molecular formula C54H45Si3V and a molecular weight of 829.16 g/mol.

Molecular Properties

Compound NameCID 22402180
PubChem CID22402180
Molecular FormulaC54H45Si3V
Molecular Weight829.16 g/mol
Exact Mass828.23
IUPAC Name—
SMILES[V].c1ccc([Si](c2ccccc2)c2ccccc2)cc1.c1ccc([Si](c2ccccc2)c2ccccc2)cc1.c1ccc([Si](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15Si.V/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*1-15H;
InChIKeyHPAYCDFMVPROLD-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.16
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Triphenylsilicon
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oxo(diphenyl)silane
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Frequently Asked Questions

What is the IUPAC name of CID 22402180?
The IUPAC name of CID 22402180 (CID 22402180) is not available.
What is the SMILES notation for CID 22402180?
The canonical SMILES for CID 22402180 is [V].c1ccc([Si](c2ccccc2)c2ccccc2)cc1.c1ccc([Si](c2ccccc2)c2ccccc2)cc1.c1ccc([Si](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 22402180?
The InChIKey is HPAYCDFMVPROLD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15Si.V/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*1-15H;.
What are the key properties of CID 22402180?
CID 22402180 has a molecular weight of 829.16 g/mol, XLogP of 6.61, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22402180 is sourced from PubChem (CID 22402180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).