CID 70496075

C22H18Cl3Sn — CID 70496075

IUPAC—
SMILESClc1ccc(C(CCC[Sn])(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18Cl3.Sn/c1-2-15-22(16-3-9-19(23)10-4-16,17-5-11-20(24)12-6-17)18-7-13-21(25)14-8-18;/h3-14H,1-2,15H2;
InChIKeyJTQBSBRTEHKOQK-UHFFFAOYSA-N
MW507.46 g/mol
LogP7.35
Rot. Bonds6

About CID 70496075

CID 70496075 (PubChem CID 70496075) has the molecular formula C22H18Cl3Sn and a molecular weight of 507.46 g/mol.

Molecular Properties

Compound NameCID 70496075
PubChem CID70496075
Molecular FormulaC22H18Cl3Sn
Molecular Weight507.46 g/mol
Exact Mass506.95
IUPAC Name—
SMILESClc1ccc(C(CCC[Sn])(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18Cl3.Sn/c1-2-15-22(16-3-9-19(23)10-4-16,17-5-11-20(24)12-6-17)18-7-13-21(25)14-8-18;/h3-14H,1-2,15H2;
InChIKeyJTQBSBRTEHKOQK-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.46
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70496075?
The IUPAC name of CID 70496075 (CID 70496075) is not available.
What is the SMILES notation for CID 70496075?
The canonical SMILES for CID 70496075 is Clc1ccc(C(CCC[Sn])(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of CID 70496075?
The InChIKey is JTQBSBRTEHKOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3.Sn/c1-2-15-22(16-3-9-19(23)10-4-16,17-5-11-20(24)12-6-17)18-7-13-21(25)14-8-18;/h3-14H,1-2,15H2;.
What are the key properties of CID 70496075?
CID 70496075 has a molecular weight of 507.46 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70496075 is sourced from PubChem (CID 70496075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).