CID 6394067

C36H32NSb3- — CID 6394067

IUPAC—
SMILES[NH2-].c1ccc([Sb]c2ccccc2)cc1.c1ccc([Sb]c2ccccc2)cc1.c1ccc([Sb]c2ccccc2)cc1
InChIInChI=1S/6C6H5.H2N.3Sb/c6*1-2-4-6-5-3-1;;;;/h6*1-5H;1H2;;;/q;;;;;;-1;;;
InChIKeyIISMZKOJJLJWDY-UHFFFAOYSA-N
MW843.94 g/mol
LogP4.74
Rot. Bonds6

About CID 6394067

CID 6394067 (PubChem CID 6394067) has the molecular formula C36H32NSb3- and a molecular weight of 843.94 g/mol.

Molecular Properties

Compound NameCID 6394067
PubChem CID6394067
Molecular FormulaC36H32NSb3-
Molecular Weight843.94 g/mol
Exact Mass840.97
IUPAC Name—
SMILES[NH2-].c1ccc([Sb]c2ccccc2)cc1.c1ccc([Sb]c2ccccc2)cc1.c1ccc([Sb]c2ccccc2)cc1
InChIInChI=1S/6C6H5.H2N.3Sb/c6*1-2-4-6-5-3-1;;;;/h6*1-5H;1H2;;;/q;;;;;;-1;;;
InChIKeyIISMZKOJJLJWDY-UHFFFAOYSA-N
XLogP4.74
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500843.94
LogP ≤ 54.74
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 6394067?
The IUPAC name of CID 6394067 (CID 6394067) is not available.
What is the SMILES notation for CID 6394067?
The canonical SMILES for CID 6394067 is [NH2-].c1ccc([Sb]c2ccccc2)cc1.c1ccc([Sb]c2ccccc2)cc1.c1ccc([Sb]c2ccccc2)cc1.
What is the InChIKey of CID 6394067?
The InChIKey is IISMZKOJJLJWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H5.H2N.3Sb/c6*1-2-4-6-5-3-1;;;;/h6*1-5H;1H2;;;/q;;;;;;-1;;;.
What are the key properties of CID 6394067?
CID 6394067 has a molecular weight of 843.94 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6394067 is sourced from PubChem (CID 6394067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).