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

C52H50GeIrN4O-2 — CID 166499117

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

8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 166499117) has the molecular formula C52H50GeIrN4O-2 and a molecular weight of 1011.83 g/mol. Its IUPAC name is 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 166499117
• Molecular Formula: C52H50GeIrN4O-2
• Molecular Weight: 1011.83 g/mol
• Exact Mass: 1013.28
• IUPAC Name: 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C)cc(-c4ccccc4)cc3C)[c-]ccc12.[Ir]
• InChI: InChI=1S/C33H24N3O.C19H26GeN.Ir/c1-20-18-24(23-10-5-4-6-11-23)19-21(2)30(20)36-29-15-8-7-14-28(29)35-32(36)27-13-9-12-25-26-17-16-22(3)34-33(26)37-31(25)27;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h4-12,14-19H,1-3H3;7-10,12,14H,13H2,1-6H3;/q2*-1
• InChIKey: GOTKFNCRDXYOSC-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.83
LogP ≤ 5	13.06
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-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 166499117) is 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

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

The canonical SMILES for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C)cc(-c4ccccc4)cc3C)[c-]ccc12.[Ir].

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

The InChIKey is GOTKFNCRDXYOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N3O.C19H26GeN.Ir/c1-20-18-24(23-10-5-4-6-11-23)19-21(2)30(20)36-29-15-8-7-14-28(29)35-32(36)27-13-9-12-25-26-17-16-22(3)34-33(26)37-31(25)27;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h4-12,14-19H,1-3H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.

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

8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1011.83 g/mol, XLogP of 13.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 166499117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).