8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

C63H66IrN6OSi-2 — CID 166499221

About 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 166499221) has the molecular formula C63H66IrN6OSi-2 and a molecular weight of 1143.56 g/mol. Its IUPAC name is 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 166499221
• Molecular Formula: C63H66IrN6OSi-2
• Molecular Weight: 1143.56 g/mol
• Exact Mass: 1143.47
• IUPAC Name: 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c(C)n1.Cc1ccc2ccc3nc(-c4[c-]ccc5c4oc4nc(CC6CCCC6)ccc45)n(-c4ccc(-c5ccccc5)cc4C(C)(C)C)c3c2n1.[Ir]
• InChI: InChI=1S/C44H39N4O.C19H27N2Si.Ir/c1-27-17-18-30-19-23-37-40(39(30)45-27)48(38-24-20-31(26-36(38)44(2,3)4)29-13-6-5-7-14-29)42(47-37)35-16-10-15-33-34-22-21-32(25-28-11-8-9-12-28)46-43(34)49-41(33)35;1-13(2)10-16-11-18(20-12-19(16)22(5,6)7)17-9-8-14(3)21-15(17)4;/h5-7,10,13-15,17-24,26,28H,8-9,11-12,25H2,1-4H3;8,11-13H,10H2,1-7H3;/q2*-1
• InChIKey: KWCVRDRSGKNMLI-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 82.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1143.56
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (CID 166499221) is 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c(C)n1.Cc1ccc2ccc3nc(-c4[c-]ccc5c4oc4nc(CC6CCCC6)ccc45)n(-c4ccc(-c5ccccc5)cc4C(C)(C)C)c3c2n1.[Ir].

What is the InChIKey of 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is KWCVRDRSGKNMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N4O.C19H27N2Si.Ir/c1-27-17-18-30-19-23-37-40(39(30)45-27)48(38-24-20-31(26-36(38)44(2,3)4)29-13-6-5-7-14-29)42(47-37)35-16-10-15-33-34-22-21-32(25-28-11-8-9-12-28)46-43(34)49-41(33)35;1-13(2)10-16-11-18(20-12-19(16)22(5,6)7)17-9-8-14(3)21-15(17)4;/h5-7,10,13-15,17-24,26,28H,8-9,11-12,25H2,1-4H3;8,11-13H,10H2,1-7H3;/q2*-1;.

What are the key properties of 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1143.56 g/mol, XLogP of 15.64, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2-tert-butyl-4-phenylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 166499221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).