6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C57H62GeIrN4O-2 — CID 156671837

About 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156671837) has the molecular formula C57H62GeIrN4O-2 and a molecular weight of 1083.98 g/mol. Its IUPAC name is 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156671837
• Molecular Formula: C57H62GeIrN4O-2
• Molecular Weight: 1083.98 g/mol
• Exact Mass: 1085.38
• IUPAC Name: 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CCC(CC)c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3c(C(C)C)cc4ccccc4c3C(C)C)cc12.[Ir]
• InChI: InChI=1S/C39H38N3O.C18H24GeN.Ir/c1-7-25(8-2)32-19-18-29-31-22-27(17-20-35(31)43-39(29)41-32)38-40-33-15-11-12-16-34(33)42(38)37-30(23(3)4)21-26-13-9-10-14-28(26)36(37)24(5)6;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h9-16,18-25H,7-8H2,1-6H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: TXNZRYBDIJKQMM-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.98
LogP ≤ 5	15.38
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-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156671837) is 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CCC(CC)c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3c(C(C)C)cc4ccccc4c3C(C)C)cc12.[Ir].

What is the InChIKey of 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is TXNZRYBDIJKQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N3O.C18H24GeN.Ir/c1-7-25(8-2)32-19-18-29-31-22-27(17-20-35(31)43-39(29)41-32)38-40-33-15-11-12-16-34(33)42(38)37-30(23(3)4)21-26-13-9-10-14-28(26)36(37)24(5)6;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h9-16,18-25H,7-8H2,1-6H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1083.98 g/mol, XLogP of 15.38, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-pentan-3-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156671837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).