8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

C68H70GeIrN4O-2 — CID 156667774

About 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156667774) has the molecular formula C68H70GeIrN4O-2 and a molecular weight of 1224.16 g/mol. Its IUPAC name is 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 156667774
• Molecular Formula: C68H70GeIrN4O-2
• Molecular Weight: 1224.16 g/mol
• Exact Mass: 1225.44
• IUPAC Name: 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cc(C3CCCCC3)cc2)nc1.Cc1ccc2c(c1)nc(-c1[c-]ccc3c1oc1nc(C(C)C4CCCC4)ccc13)n2-c1c(-c2ccccc2)cc(C(C)(C)C)cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C48H44N3O.C20H26GeN.Ir/c1-30-23-26-43-42(27-30)49-46(38-22-14-21-36-37-24-25-41(50-47(37)52-45(36)38)31(2)32-15-12-13-16-32)51(43)44-39(33-17-8-6-9-18-33)28-35(48(3,4)5)29-40(44)34-19-10-7-11-20-34;1-21(2,3)19-13-14-20(22-15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16;/h6-11,14,17-21,23-29,31-32H,12-13,15-16H2,1-5H3;9-11,13-16H,4-8H2,1-3H3;/q2*-1
• InChIKey: YOOCHZXVISOWKN-UHFFFAOYSA-N
• XLogP: 18.16
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1224.16
LogP ≤ 5	18.16
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 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (CID 156667774) is 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is C[Ge](C)(C)c1ccc(-c2[c-]cc(C3CCCCC3)cc2)nc1.Cc1ccc2c(c1)nc(-c1[c-]ccc3c1oc1nc(C(C)C4CCCC4)ccc13)n2-c1c(-c2ccccc2)cc(C(C)(C)C)cc1-c1ccccc1.[Ir].

What is the InChIKey of 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is YOOCHZXVISOWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N3O.C20H26GeN.Ir/c1-30-23-26-43-42(27-30)49-46(38-22-14-21-36-37-24-25-41(50-47(37)52-45(36)38)31(2)32-15-12-13-16-32)51(43)44-39(33-17-8-6-9-18-33)28-35(48(3,4)5)29-40(44)34-19-10-7-11-20-34;1-21(2,3)19-13-14-20(22-15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16;/h6-11,14,17-21,23-29,31-32H,12-13,15-16H2,1-5H3;9-11,13-16H,4-8H2,1-3H3;/q2*-1;.

What are the key properties of 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1224.16 g/mol, XLogP of 18.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-tert-butyl-2,6-diphenylphenyl)-5-methylbenzimidazol-2-yl]-2-(1-cyclopentylethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156667774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).