dibismuth;tris((2,4-ditert-butylphenyl) phosphite)

C42H63Bi2O9P3 — CID 159144248

IUPACdibismuth;tris((2,4-ditert-butylphenyl) phosphite)
SMILESCC(C)(C)c1ccc(OP([O-])[O-])c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP([O-])[O-])c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP([O-])[O-])c(C(C)(C)C)c1.[Bi+3].[Bi+3]
InChIInChI=1S/3C14H21O3P.2Bi/c3*1-13(2,3)10-7-8-12(17-18(15)16)11(9-10)14(4,5)6;;/h3*7-9H,1-6H3;;/q3*-2;2*+3
InChIKeyKIMAKUGJMJMRND-UHFFFAOYSA-N
MW1222.84 g/mol
LogP7.06
Rot. Bonds6

About dibismuth;tris((2,4-ditert-butylphenyl) phosphite)

dibismuth;tris((2,4-ditert-butylphenyl) phosphite) (PubChem CID 159144248) has the molecular formula C42H63Bi2O9P3 and a molecular weight of 1222.84 g/mol. Its IUPAC name is dibismuth;tris((2,4-ditert-butylphenyl) phosphite).

Molecular Properties

Compound Namedibismuth;tris((2,4-ditert-butylphenyl) phosphite)
PubChem CID159144248
Molecular FormulaC42H63Bi2O9P3
Molecular Weight1222.84 g/mol
Exact Mass1222.33
IUPAC Namedibismuth;tris((2,4-ditert-butylphenyl) phosphite)
SMILESCC(C)(C)c1ccc(OP([O-])[O-])c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP([O-])[O-])c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP([O-])[O-])c(C(C)(C)C)c1.[Bi+3].[Bi+3]
InChIInChI=1S/3C14H21O3P.2Bi/c3*1-13(2,3)10-7-8-12(17-18(15)16)11(9-10)14(4,5)6;;/h3*7-9H,1-6H3;;/q3*-2;2*+3
InChIKeyKIMAKUGJMJMRND-UHFFFAOYSA-N
XLogP7.06
TPSA166.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001222.84
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibismuth;tris((2,4-ditert-butylphenyl) phosphite)?
The IUPAC name of dibismuth;tris((2,4-ditert-butylphenyl) phosphite) (CID 159144248) is dibismuth;tris((2,4-ditert-butylphenyl) phosphite).
What is the SMILES notation for dibismuth;tris((2,4-ditert-butylphenyl) phosphite)?
The canonical SMILES for dibismuth;tris((2,4-ditert-butylphenyl) phosphite) is CC(C)(C)c1ccc(OP([O-])[O-])c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP([O-])[O-])c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP([O-])[O-])c(C(C)(C)C)c1.[Bi+3].[Bi+3].
What is the InChIKey of dibismuth;tris((2,4-ditert-butylphenyl) phosphite)?
The InChIKey is KIMAKUGJMJMRND-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H21O3P.2Bi/c3*1-13(2,3)10-7-8-12(17-18(15)16)11(9-10)14(4,5)6;;/h3*7-9H,1-6H3;;/q3*-2;2*+3.
What are the key properties of dibismuth;tris((2,4-ditert-butylphenyl) phosphite)?
dibismuth;tris((2,4-ditert-butylphenyl) phosphite) has a molecular weight of 1222.84 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dibismuth;tris((2,4-ditert-butylphenyl) phosphite) is sourced from PubChem (CID 159144248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).