[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C63H63IrN5OSi-2 — CID 156672008

About [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-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-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 156672008) has the molecular formula C63H63IrN5OSi-2 and a molecular weight of 1126.53 g/mol. Its IUPAC name is [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-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-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 156672008
• Molecular Formula: C63H63IrN5OSi-2
• Molecular Weight: 1126.53 g/mol
• Exact Mass: 1126.44
• IUPAC Name: [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-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.Cc1ccc2ccc3nc(-c4[c-]ccc5c4oc4nc(C(C)C(C)(C)C)ccc45)n(-c4c(C(C)C)c5ccccc5c5ccccc45)c3c2n1.[Ir]
• InChI: InChI=1S/C45H39N4O.C18H24NSi.Ir/c1-25(2)38-31-15-10-8-13-29(31)30-14-9-11-16-32(30)40(38)49-41-37(23-21-28-20-19-26(3)46-39(28)41)47-43(49)35-18-12-17-33-34-22-24-36(27(4)45(5,6)7)48-44(34)50-42(33)35;1-18(2,3)15-9-7-8-14(12-15)17-11-10-16(13-19-17)20(4,5)6;/h8-17,19-25,27H,1-7H3;7,9-13H,1-6H3;/q2*-1
• InChIKey: DGDTYFYDYFVMRE-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.53
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-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-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 156672008) is [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-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-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-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-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-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.Cc1ccc2ccc3nc(-c4[c-]ccc5c4oc4nc(C(C)C(C)(C)C)ccc45)n(-c4c(C(C)C)c5ccccc5c5ccccc45)c3c2n1.[Ir].

What is the InChIKey of [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3,3-dimethylbutan-2-yl)-8-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is DGDTYFYDYFVMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39N4O.C18H24NSi.Ir/c1-25(2)38-31-15-10-8-13-29(31)30-14-9-11-16-32(30)40(38)49-41-37(23-21-28-20-19-26(3)46-39(28)41)47-43(49)35-18-12-17-33-34-22-24-36(27(4)45(5,6)7)48-44(34)50-42(33)35;1-18(2,3)15-9-7-8-14(12-15)17-11-10-16(13-19-17)20(4,5)6;/h8-17,19-25,27H,1-7H3;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-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-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-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 1126.53 g/mol, XLogP of 16.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156672008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).