CID 119080079

C20H15SSi — CID 119080079

IUPAC—
SMILESc1ccc([Si](c2cccs2)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H15SSi/c1-2-10-17(11-3-1)22(20-14-7-15-21-20)19-13-6-9-16-8-4-5-12-18(16)19/h1-15H
InChIKeyNMVGEERYYVYHPO-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.42
Rot. Bonds3

About CID 119080079

CID 119080079 (PubChem CID 119080079) has the molecular formula C20H15SSi and a molecular weight of 315.49 g/mol.

Molecular Properties

Compound NameCID 119080079
PubChem CID119080079
Molecular FormulaC20H15SSi
Molecular Weight315.49 g/mol
Exact Mass315.07
IUPAC Name—
SMILESc1ccc([Si](c2cccs2)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H15SSi/c1-2-10-17(11-3-1)22(20-14-7-15-21-20)19-13-6-9-16-8-4-5-12-18(16)19/h1-15H
InChIKeyNMVGEERYYVYHPO-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 119080079?
The IUPAC name of CID 119080079 (CID 119080079) is not available.
What is the SMILES notation for CID 119080079?
The canonical SMILES for CID 119080079 is c1ccc([Si](c2cccs2)c2cccc3ccccc23)cc1.
What is the InChIKey of CID 119080079?
The InChIKey is NMVGEERYYVYHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15SSi/c1-2-10-17(11-3-1)22(20-14-7-15-21-20)19-13-6-9-16-8-4-5-12-18(16)19/h1-15H.
What are the key properties of CID 119080079?
CID 119080079 has a molecular weight of 315.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119080079 is sourced from PubChem (CID 119080079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).