CID 102498253

C34H24Cl2N2Sn — CID 102498253

IUPAC—
SMILES[Cl-].[Cl-].[Sn+2].[c]1ccccc1/C=N/c1ccc2ccccc2c1.[c]1ccccc1/C=N/c1ccc2ccccc2c1
InChIInChI=1S/2C17H12N.2ClH.Sn/c2*1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17;;;/h2*1-6,8-13H;2*1H;/q;;;;+2/p-2/b2*18-13+;;;
InChIKeyAWSFXOGONMHYTH-YHZHJTGISA-L
MW650.20 g/mol
LogP2.41
Rot. Bonds4

About CID 102498253

CID 102498253 (PubChem CID 102498253) has the molecular formula C34H24Cl2N2Sn and a molecular weight of 650.20 g/mol.

Molecular Properties

Compound NameCID 102498253
PubChem CID102498253
Molecular FormulaC34H24Cl2N2Sn
Molecular Weight650.20 g/mol
Exact Mass650.03
IUPAC Name—
SMILES[Cl-].[Cl-].[Sn+2].[c]1ccccc1/C=N/c1ccc2ccccc2c1.[c]1ccccc1/C=N/c1ccc2ccccc2c1
InChIInChI=1S/2C17H12N.2ClH.Sn/c2*1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17;;;/h2*1-6,8-13H;2*1H;/q;;;;+2/p-2/b2*18-13+;;;
InChIKeyAWSFXOGONMHYTH-YHZHJTGISA-L
XLogP2.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102498253?
The IUPAC name of CID 102498253 (CID 102498253) is not available.
What is the SMILES notation for CID 102498253?
The canonical SMILES for CID 102498253 is [Cl-].[Cl-].[Sn+2].[c]1ccccc1/C=N/c1ccc2ccccc2c1.[c]1ccccc1/C=N/c1ccc2ccccc2c1.
What is the InChIKey of CID 102498253?
The InChIKey is AWSFXOGONMHYTH-YHZHJTGISA-L. The full InChI is InChI=1S/2C17H12N.2ClH.Sn/c2*1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17;;;/h2*1-6,8-13H;2*1H;/q;;;;+2/p-2/b2*18-13+;;;.
What are the key properties of CID 102498253?
CID 102498253 has a molecular weight of 650.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102498253 is sourced from PubChem (CID 102498253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).