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

C49H55GeIrN5O-2 — CID 156670750

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

[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 156670750) has the molecular formula C49H55GeIrN5O-2 and a molecular weight of 994.84 g/mol. Its IUPAC name is [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 156670750
• Molecular Formula: C49H55GeIrN5O-2
• Molecular Weight: 994.84 g/mol
• Exact Mass: 996.33
• IUPAC Name: [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: CC(C)Cc1cc(-c2[c-]cc(C(C)(C)C)cc2)ncc1[Ge](C)(C)C.Cc1ccc2ccc3nc(-c4[c-]cc(C)c5c4oc4ncccc45)n(C(C)(C)C)c3c2n1.[Ir]
• InChI: InChI=1S/C27H23N4O.C22H32GeN.Ir/c1-15-8-12-19(24-21(15)18-7-6-14-28-26(18)32-24)25-30-20-13-11-17-10-9-16(2)29-22(17)23(20)31(25)27(3,4)5;1-16(2)13-18-14-21(24-15-20(18)23(6,7)8)17-9-11-19(12-10-17)22(3,4)5;/h6-11,13-14H,1-5H3;9,11-12,14-16H,13H2,1-8H3;/q2*-1
• InChIKey: QPELQXYJQYFDRU-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.84
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 156670750) is [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

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

The canonical SMILES for [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is CC(C)Cc1cc(-c2[c-]cc(C(C)(C)C)cc2)ncc1[Ge](C)(C)C.Cc1ccc2ccc3nc(-c4[c-]cc(C)c5c4oc4ncccc45)n(C(C)(C)C)c3c2n1.[Ir].

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

The InChIKey is QPELQXYJQYFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N4O.C22H32GeN.Ir/c1-15-8-12-19(24-21(15)18-7-6-14-28-26(18)32-24)25-30-20-13-11-17-10-9-16(2)29-22(17)23(20)31(25)27(3,4)5;1-16(2)13-18-14-21(24-15-20(18)23(6,7)8)17-9-11-19(12-10-17)22(3,4)5;/h6-11,13-14H,1-5H3;9,11-12,14-16H,13H2,1-8H3;/q2*-1;.

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

[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 994.84 g/mol, XLogP of 12.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(1-tert-butyl-8-methylimidazo[4,5-h]quinolin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156670750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).