CID 57349352

C31H28SiSn — CID 57349352

IUPAC—
SMILES[SiH2]C(c1ccccc1)c1ccccc1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C13H13Si.3C6H5.Sn/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3*1-2-4-6-5-3-1;/h1-10,13H,14H2;3*1-5H;
InChIKeyNCEVLZUQLRXVQW-UHFFFAOYSA-N
MW547.36 g/mol
LogP4.61
Rot. Bonds5

About CID 57349352

CID 57349352 (PubChem CID 57349352) has the molecular formula C31H28SiSn and a molecular weight of 547.36 g/mol.

Molecular Properties

Compound NameCID 57349352
PubChem CID57349352
Molecular FormulaC31H28SiSn
Molecular Weight547.36 g/mol
Exact Mass548.10
IUPAC Name—
SMILES[SiH2]C(c1ccccc1)c1ccccc1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C13H13Si.3C6H5.Sn/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3*1-2-4-6-5-3-1;/h1-10,13H,14H2;3*1-5H;
InChIKeyNCEVLZUQLRXVQW-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.36
LogP ≤ 54.61
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 57349352?
The IUPAC name of CID 57349352 (CID 57349352) is not available.
What is the SMILES notation for CID 57349352?
The canonical SMILES for CID 57349352 is [SiH2]C(c1ccccc1)c1ccccc1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 57349352?
The InChIKey is NCEVLZUQLRXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Si.3C6H5.Sn/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3*1-2-4-6-5-3-1;/h1-10,13H,14H2;3*1-5H;.
What are the key properties of CID 57349352?
CID 57349352 has a molecular weight of 547.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57349352 is sourced from PubChem (CID 57349352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).