CID 156655640

C27H25IrNOPSi2- — CID 156655640

IUPAC—
SMILESC[Si]1(C)c2[c-]c(-c3ccccn3)cc3c2P(=O)(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir]
InChIInChI=1S/C27H25NOPSi2.Ir/c1-31(2)23-14-7-5-12-21(23)30(29)22-13-6-8-15-24(22)32(3,4)26-18-19(17-25(31)27(26)30)20-11-9-10-16-28-20;/h5-17H,1-4H3;/q-1;
InChIKeyNICXIJKKLOKUIZ-UHFFFAOYSA-N
MW658.87 g/mol
LogP2.46
Rot. Bonds1

About CID 156655640

CID 156655640 (PubChem CID 156655640) has the molecular formula C27H25IrNOPSi2- and a molecular weight of 658.87 g/mol.

Molecular Properties

Compound NameCID 156655640
PubChem CID156655640
Molecular FormulaC27H25IrNOPSi2-
Molecular Weight658.87 g/mol
Exact Mass659.08
IUPAC Name—
SMILESC[Si]1(C)c2[c-]c(-c3ccccn3)cc3c2P(=O)(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir]
InChIInChI=1S/C27H25NOPSi2.Ir/c1-31(2)23-14-7-5-12-21(23)30(29)22-13-6-8-15-24(22)32(3,4)26-18-19(17-25(31)27(26)30)20-11-9-10-16-28-20;/h5-17H,1-4H3;/q-1;
InChIKeyNICXIJKKLOKUIZ-UHFFFAOYSA-N
XLogP2.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500658.87
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phospha-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 156655386
8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 156655217
CID 156655380
CID 156655380
CID 156655562
CID 156655562
CID 156655563
CID 156655563
CID 156655431
CID 156655431
iridium;pyridine-2-carboxylic acid;2-(3,4,5-trifluorobenzene-6-id-1-yl)pyridine
CID 170539912
iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
CID 171470504
2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine
CID 153423347
CID 165170222
CID 165170222
2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine
CID 153423280
CID 156655248
CID 156655248

Frequently Asked Questions

What is the IUPAC name of CID 156655640?
The IUPAC name of CID 156655640 (CID 156655640) is not available.
What is the SMILES notation for CID 156655640?
The canonical SMILES for CID 156655640 is C[Si]1(C)c2[c-]c(-c3ccccn3)cc3c2P(=O)(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir].
What is the InChIKey of CID 156655640?
The InChIKey is NICXIJKKLOKUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NOPSi2.Ir/c1-31(2)23-14-7-5-12-21(23)30(29)22-13-6-8-15-24(22)32(3,4)26-18-19(17-25(31)27(26)30)20-11-9-10-16-28-20;/h5-17H,1-4H3;/q-1;.
What are the key properties of CID 156655640?
CID 156655640 has a molecular weight of 658.87 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156655640 is sourced from PubChem (CID 156655640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).