CID 156655435

C26H24IrN2OPSi2- — CID 156655435

IUPAC—
SMILESC[Si]1(C)c2[c-]c(-c3cnccn3)cc3c2P(=O)(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir]
InChIInChI=1S/C26H24N2OPSi2.Ir/c1-31(2)22-11-7-5-9-20(22)30(29)21-10-6-8-12-23(21)32(3,4)25-16-18(15-24(31)26(25)30)19-17-27-13-14-28-19;/h5-15,17H,1-4H3;/q-1;
InChIKeyWCYBXSCZEVZFML-UHFFFAOYSA-N
MW659.85 g/mol
LogP1.85
Rot. Bonds1

About CID 156655435

CID 156655435 (PubChem CID 156655435) has the molecular formula C26H24IrN2OPSi2- and a molecular weight of 659.85 g/mol.

Molecular Properties

Compound NameCID 156655435
PubChem CID156655435
Molecular FormulaC26H24IrN2OPSi2-
Molecular Weight659.85 g/mol
Exact Mass660.08
IUPAC Name—
SMILESC[Si]1(C)c2[c-]c(-c3cnccn3)cc3c2P(=O)(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir]
InChIInChI=1S/C26H24N2OPSi2.Ir/c1-31(2)22-11-7-5-9-20(22)30(29)21-10-6-8-12-23(21)32(3,4)25-16-18(15-24(31)26(25)30)19-17-27-13-14-28-19;/h5-15,17H,1-4H3;/q-1;
InChIKeyWCYBXSCZEVZFML-UHFFFAOYSA-N
XLogP1.85
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.85
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 156655435?
The IUPAC name of CID 156655435 (CID 156655435) is not available.
What is the SMILES notation for CID 156655435?
The canonical SMILES for CID 156655435 is C[Si]1(C)c2[c-]c(-c3cnccn3)cc3c2P(=O)(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir].
What is the InChIKey of CID 156655435?
The InChIKey is WCYBXSCZEVZFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2OPSi2.Ir/c1-31(2)22-11-7-5-9-20(22)30(29)21-10-6-8-12-23(21)32(3,4)25-16-18(15-24(31)26(25)30)19-17-27-13-14-28-19;/h5-15,17H,1-4H3;/q-1;.
What are the key properties of CID 156655435?
CID 156655435 has a molecular weight of 659.85 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156655435 is sourced from PubChem (CID 156655435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).