[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C43H41GeIrN3O-2 — CID 162777009

About [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide

[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 162777009) has the molecular formula C43H41GeIrN3O-2 and a molecular weight of 880.65 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 162777009
• Molecular Formula: C43H41GeIrN3O-2
• Molecular Weight: 880.65 g/mol
• Exact Mass: 882.21
• IUPAC Name: [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1cc(-c2ccccc2)nc2oc3c(-c4ccccn4)[c-]ccc3c12.[Ir]
• InChI: InChI=1S/C23H15N2O.C20H26GeN.Ir/c1-15-14-20(16-8-3-2-4-9-16)25-23-21(15)18-11-7-10-17(22(18)26-23)19-12-5-6-13-24-19;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h2-9,11-14H,1H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1
• InChIKey: DSBYYDZJQMNTPN-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.65
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 162777009) is [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1cc(-c2ccccc2)nc2oc3c(-c4ccccn4)[c-]ccc3c12.[Ir].

What is the InChIKey of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is DSBYYDZJQMNTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N2O.C20H26GeN.Ir/c1-15-14-20(16-8-3-2-4-9-16)25-23-21(15)18-11-7-10-17(22(18)26-23)19-12-5-6-13-24-19;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h2-9,11-14H,1H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;.

What are the key properties of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 880.65 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 162777009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).