CID 11308514

C33H32IrOPSi — CID 11308514

IUPAC—
SMILESC[Si](C)(C)[C]1[CH][CH][CH][C]1c1ccccc1.[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C14H17Si.CO.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)14-11-7-10-13(14)12-8-5-4-6-9-12;1-2;/h1-15H;4-11H,1-3H3;;
InChIKeyXDSXBHZQOOSSAD-UHFFFAOYSA-N
MW695.90 g/mol
LogP7.09
Rot. Bonds5

About CID 11308514

CID 11308514 (PubChem CID 11308514) has the molecular formula C33H32IrOPSi and a molecular weight of 695.90 g/mol.

Molecular Properties

Compound NameCID 11308514
PubChem CID11308514
Molecular FormulaC33H32IrOPSi
Molecular Weight695.90 g/mol
Exact Mass696.16
IUPAC Name—
SMILESC[Si](C)(C)[C]1[CH][CH][CH][C]1c1ccccc1.[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C14H17Si.CO.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)14-11-7-10-13(14)12-8-5-4-6-9-12;1-2;/h1-15H;4-11H,1-3H3;;
InChIKeyXDSXBHZQOOSSAD-UHFFFAOYSA-N
XLogP7.09
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.90
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 11752614
CID 11752614
carbon monoxide;iridium;bis(triphenylphosphane);hydrate
CID 10963762
carbon monoxide;iridium;bis(triphenylphosphane);iodide
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carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)
CID 10931243
carbon monoxide;iridium;bis(triphenylphosphane);dibromide
CID 155883167
carbon monoxide;platinum;sulfanide;bis(triphenylphosphane)
CID 10931102
carbon monoxide;rhenium;triphenylphosphane
CID 139109889
carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride
CID 170843767
CID 134882622
CID 134882622
CID 11297766
CID 11297766
copper;triphenylphosphane;diiodide
CID 175718696
ethane;triphenylphosphane
CID 90942156

Frequently Asked Questions

What is the IUPAC name of CID 11308514?
The IUPAC name of CID 11308514 (CID 11308514) is not available.
What is the SMILES notation for CID 11308514?
The canonical SMILES for CID 11308514 is C[Si](C)(C)[C]1[CH][CH][CH][C]1c1ccccc1.[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 11308514?
The InChIKey is XDSXBHZQOOSSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C14H17Si.CO.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)14-11-7-10-13(14)12-8-5-4-6-9-12;1-2;/h1-15H;4-11H,1-3H3;;.
What are the key properties of CID 11308514?
CID 11308514 has a molecular weight of 695.90 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11308514 is sourced from PubChem (CID 11308514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).