CID 177387912

C19H18ISn2 — CID 177387912

IUPAC—
SMILESC[Sn]I.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.CH3.HI.2Sn/c3*1-2-4-6-5-3-1;;;;/h3*1-5H;1H3;1H;;/q;;;;;;+1/p-1
InChIKeyXSSJBLOPZMBONS-UHFFFAOYSA-M
MW610.68 g/mol
LogP3.29
Rot. Bonds3

About CID 177387912

CID 177387912 (PubChem CID 177387912) has the molecular formula C19H18ISn2 and a molecular weight of 610.68 g/mol.

Molecular Properties

Compound NameCID 177387912
PubChem CID177387912
Molecular FormulaC19H18ISn2
Molecular Weight610.68 g/mol
Exact Mass612.85
IUPAC Name—
SMILESC[Sn]I.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.CH3.HI.2Sn/c3*1-2-4-6-5-3-1;;;;/h3*1-5H;1H3;1H;;/q;;;;;;+1/p-1
InChIKeyXSSJBLOPZMBONS-UHFFFAOYSA-M
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.68
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177387912?
The IUPAC name of CID 177387912 (CID 177387912) is not available.
What is the SMILES notation for CID 177387912?
The canonical SMILES for CID 177387912 is C[Sn]I.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 177387912?
The InChIKey is XSSJBLOPZMBONS-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.CH3.HI.2Sn/c3*1-2-4-6-5-3-1;;;;/h3*1-5H;1H3;1H;;/q;;;;;;+1/p-1.
What are the key properties of CID 177387912?
CID 177387912 has a molecular weight of 610.68 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177387912 is sourced from PubChem (CID 177387912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).