[6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C49H52GeIrN4O-2 — CID 156669840

About [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 156669840) has the molecular formula C49H52GeIrN4O-2 and a molecular weight of 977.81 g/mol. Its IUPAC name is [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 156669840
• Molecular Formula: C49H52GeIrN4O-2
• Molecular Weight: 977.81 g/mol
• Exact Mass: 979.30
• IUPAC Name: [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: CC(C)Cc1cc(-c2[c-]cc(C3CCCCC3)cc2)ncc1[Ge](C)(C)C.CCn1c(-c2[c-]ccc3c2oc2nc(C)ccc23)nc2ccc3ccccc3c21.[Ir]
• InChI: InChI=1S/C25H18N3O.C24H34GeN.Ir/c1-3-28-22-17-8-5-4-7-16(17)12-14-21(22)27-24(28)20-10-6-9-18-19-13-11-15(2)26-25(19)29-23(18)20;1-18(2)15-22-16-24(26-17-23(22)25(3,4)5)21-13-11-20(12-14-21)19-9-7-6-8-10-19;/h4-9,11-14H,3H2,1-2H3;11-13,16-19H,6-10,15H2,1-5H3;/q2*-1
• InChIKey: UMQFHTIKLFLNDX-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.81
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 156669840) is [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is CC(C)Cc1cc(-c2[c-]cc(C3CCCCC3)cc2)ncc1[Ge](C)(C)C.CCn1c(-c2[c-]ccc3c2oc2nc(C)ccc23)nc2ccc3ccccc3c21.[Ir].

What is the InChIKey of [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is UMQFHTIKLFLNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N3O.C24H34GeN.Ir/c1-3-28-22-17-8-5-4-7-16(17)12-14-21(22)27-24(28)20-10-6-9-18-19-13-11-15(2)26-25(19)29-23(18)20;1-18(2)15-22-16-24(26-17-23(22)25(3,4)5)21-13-11-20(12-14-21)19-9-7-6-8-10-19;/h4-9,11-14H,3H2,1-2H3;11-13,16-19H,6-10,15H2,1-5H3;/q2*-1;.

What are the key properties of [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 977.81 g/mol, XLogP of 12.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-ethylbenzo[e]benzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156669840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).