4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C41H45IrN3OSi-2 — CID 155610503

About 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 155610503) has the molecular formula C41H45IrN3OSi-2 and a molecular weight of 816.13 g/mol. Its IUPAC name is 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 155610503
• Molecular Formula: C41H45IrN3OSi-2
• Molecular Weight: 816.13 g/mol
• Exact Mass: 816.30
• IUPAC Name: 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ncc3c2oc2ccccc23)ncc1CC1CCCC1.[Ir]
• InChI: InChI=1S/C23H21N2O.C18H24NSi.Ir/c1-15-10-21(25-12-17(15)11-16-6-2-3-7-16)20-14-24-13-19-18-8-4-5-9-22(18)26-23(19)20;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-5,8-10,12-13,16H,2-3,6-7,11H2,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: JYRXISFHMRCRMJ-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.13
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 155610503) is 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ncc3c2oc2ccccc23)ncc1CC1CCCC1.[Ir].

What is the InChIKey of 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is JYRXISFHMRCRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N2O.C18H24NSi.Ir/c1-15-10-21(25-12-17(15)11-16-6-2-3-7-16)20-14-24-13-19-18-8-4-5-9-22(18)26-23(19)20;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-5,8-10,12-13,16H,2-3,6-7,11H2,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 816.13 g/mol, XLogP of 10.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 155610503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).