CID 6393793

C40H32As2N2Pt — CID 6393793

IUPAC—
SMILESN#CC#CC#N.[Pt].c1ccc([AsH](c2ccccc2)c2ccccc2)cc1.c1ccc([AsH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H16As.C4N2.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5-3-1-2-4-6;/h2*1-15,19H;;
InChIKeyODXFWMWJVUMNOP-UHFFFAOYSA-N
MW885.63 g/mol
LogP3.90
Rot. Bonds6

About CID 6393793

CID 6393793 (PubChem CID 6393793) has the molecular formula C40H32As2N2Pt and a molecular weight of 885.63 g/mol.

Molecular Properties

Compound NameCID 6393793
PubChem CID6393793
Molecular FormulaC40H32As2N2Pt
Molecular Weight885.63 g/mol
Exact Mass885.06
IUPAC Name—
SMILESN#CC#CC#N.[Pt].c1ccc([AsH](c2ccccc2)c2ccccc2)cc1.c1ccc([AsH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H16As.C4N2.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5-3-1-2-4-6;/h2*1-15,19H;;
InChIKeyODXFWMWJVUMNOP-UHFFFAOYSA-N
XLogP3.90
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500885.63
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 6393793?
The IUPAC name of CID 6393793 (CID 6393793) is not available.
What is the SMILES notation for CID 6393793?
The canonical SMILES for CID 6393793 is N#CC#CC#N.[Pt].c1ccc([AsH](c2ccccc2)c2ccccc2)cc1.c1ccc([AsH](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 6393793?
The InChIKey is ODXFWMWJVUMNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16As.C4N2.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5-3-1-2-4-6;/h2*1-15,19H;;.
What are the key properties of CID 6393793?
CID 6393793 has a molecular weight of 885.63 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6393793 is sourced from PubChem (CID 6393793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).