CID 86173784

C12H14N2P2Sb2 — CID 86173784

IUPAC—
SMILESPc1ccccc1N[Sb].Pc1ccccc1N[Sb]
InChIInChI=1S/2C6H7NP.2Sb/c2*7-5-3-1-2-4-6(5)8;;/h2*1-4,7H,8H2;;/q2*-1;2*+1
InChIKeyPMSUECLQKYBMEW-UHFFFAOYSA-N
MW491.73 g/mol
LogP1.36
Rot. Bonds2

About CID 86173784

CID 86173784 (PubChem CID 86173784) has the molecular formula C12H14N2P2Sb2 and a molecular weight of 491.73 g/mol.

Molecular Properties

Compound NameCID 86173784
PubChem CID86173784
Molecular FormulaC12H14N2P2Sb2
Molecular Weight491.73 g/mol
Exact Mass489.87
IUPAC Name—
SMILESPc1ccccc1N[Sb].Pc1ccccc1N[Sb]
InChIInChI=1S/2C6H7NP.2Sb/c2*7-5-3-1-2-4-6(5)8;;/h2*1-4,7H,8H2;;/q2*-1;2*+1
InChIKeyPMSUECLQKYBMEW-UHFFFAOYSA-N
XLogP1.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.73
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 86173784?
The IUPAC name of CID 86173784 (CID 86173784) is not available.
What is the SMILES notation for CID 86173784?
The canonical SMILES for CID 86173784 is Pc1ccccc1N[Sb].Pc1ccccc1N[Sb].
What is the InChIKey of CID 86173784?
The InChIKey is PMSUECLQKYBMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7NP.2Sb/c2*7-5-3-1-2-4-6(5)8;;/h2*1-4,7H,8H2;;/q2*-1;2*+1.
What are the key properties of CID 86173784?
CID 86173784 has a molecular weight of 491.73 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86173784 is sourced from PubChem (CID 86173784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).