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

C43H49IrN3OSi-2 — CID 155611873

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

4-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 155611873) has the molecular formula C43H49IrN3OSi-2 and a molecular weight of 844.19 g/mol. Its IUPAC name is 4-[4-(cyclopentylmethyl)-5-propan-2-yl-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-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 155611873
• Molecular Formula: C43H49IrN3OSi-2
• Molecular Weight: 844.19 g/mol
• Exact Mass: 844.33
• IUPAC Name: 4-[4-(cyclopentylmethyl)-5-propan-2-yl-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.CC(C)c1cnc(-c2[c-]ncc3c2oc2ccccc23)cc1CC1CCCC1.[Ir]
• InChI: InChI=1S/C25H25N2O.C18H24NSi.Ir/c1-16(2)20-15-27-23(12-18(20)11-17-7-3-4-8-17)22-14-26-13-21-19-9-5-6-10-24(19)28-25(21)22;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-6,9-10,12-13,15-17H,3-4,7-8,11H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: JUNWZKCZORGNBQ-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.19
LogP ≤ 5	10.99
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-[4-(cyclopentylmethyl)-5-propan-2-yl-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-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 155611873) is 4-[4-(cyclopentylmethyl)-5-propan-2-yl-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-[4-(cyclopentylmethyl)-5-propan-2-yl-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-[4-(cyclopentylmethyl)-5-propan-2-yl-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.CC(C)c1cnc(-c2[c-]ncc3c2oc2ccccc23)cc1CC1CCCC1.[Ir].

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

The InChIKey is JUNWZKCZORGNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N2O.C18H24NSi.Ir/c1-16(2)20-15-27-23(12-18(20)11-17-7-3-4-8-17)22-14-26-13-21-19-9-5-6-10-24(19)28-25(21)22;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-6,9-10,12-13,15-17H,3-4,7-8,11H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

4-[4-(cyclopentylmethyl)-5-propan-2-yl-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 844.19 g/mol, XLogP of 10.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(cyclopentylmethyl)-5-propan-2-yl-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 155611873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).