[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C63H62IrN4OSi-2 — CID 156671497

About [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 156671497) has the molecular formula C63H62IrN4OSi-2 and a molecular weight of 1111.52 g/mol. Its IUPAC name is [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 156671497
• Molecular Formula: C63H62IrN4OSi-2
• Molecular Weight: 1111.52 g/mol
• Exact Mass: 1111.43
• IUPAC Name: [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: CC(C)(C)c1cc[c-]c(-c2ccc([Si](C)(C)C)cn2)c1.CC(C)c1c(-n2c(-c3[c-]ccc4c3oc3nc(C(C)C(C)(C)C)ccc34)nc3ccc4ccccc4c32)c2ccccc2c2ccccc12.[Ir]
• InChI: InChI=1S/C45H38N3O.C18H24NSi.Ir/c1-26(2)39-32-18-11-9-16-30(32)31-17-10-12-19-33(31)41(39)48-40-29-15-8-7-14-28(29)22-24-38(40)46-43(48)36-21-13-20-34-35-23-25-37(27(3)45(4,5)6)47-44(35)49-42(34)36;1-18(2,3)15-9-7-8-14(12-15)17-11-10-16(13-19-17)20(4,5)6;/h7-20,22-27H,1-6H3;7,9-13H,1-6H3;/q2*-1
• InChIKey: PZQIGPPYGIGQNL-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1111.52
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 156671497) is [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is CC(C)(C)c1cc[c-]c(-c2ccc([Si](C)(C)C)cn2)c1.CC(C)c1c(-n2c(-c3[c-]ccc4c3oc3nc(C(C)C(C)(C)C)ccc34)nc3ccc4ccccc4c32)c2ccccc2c2ccccc12.[Ir].

What is the InChIKey of [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is PZQIGPPYGIGQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N3O.C18H24NSi.Ir/c1-26(2)39-32-18-11-9-16-30(32)31-17-10-12-19-33(31)41(39)48-40-29-15-8-7-14-28(29)22-24-38(40)46-43(48)36-21-13-20-34-35-23-25-37(27(3)45(4,5)6)47-44(35)49-42(34)36;1-18(2,3)15-9-7-8-14(12-15)17-11-10-16(13-19-17)20(4,5)6;/h7-20,22-27H,1-6H3;7,9-13H,1-6H3;/q2*-1;.

What are the key properties of [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 1111.52 g/mol, XLogP of 16.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[1-(10-propan-2-ylphenanthren-9-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156671497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).