8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane

C₅₀H₄₆F₃GeIrN₅O-2 — CID 156668478

About 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane

8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 156668478) has the molecular formula C₅₀H₄₆F₃GeIrN₅O-2 and a molecular weight of 1054.77 g/mol. Its IUPAC name is 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 156668478
• Molecular Formula: C₅₀H₄₆F₃GeIrN₅O-2
• Molecular Weight: 1054.77 g/mol
• Exact Mass: 1056.25
• IUPAC Name: 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• SMILES: Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.Cc1ccc2ccc3nc(-c4[c-]ccc5c4oc4nc(C(F)(F)F)ccc45)n(-c4c(C(C)C)cccc4C(C)C)c3c2n1.[Ir]
• InChI: InChI=1S/C35H28F3N4O.C15H18GeN.Ir/c1-18(2)22-8-6-9-23(19(3)4)30(22)42-31-27(16-14-21-13-12-20(5)39-29(21)31)40-33(42)26-11-7-10-24-25-15-17-28(35(36,37)38)41-34(25)43-32(24)26;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-10,12-19H,1-5H3;5-7,9-11H,1-4H3;/q2*-1
• InChIKey: GKMFCLCEIRQIQJ-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1054.77
LogP ≤ 5	13.31
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 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 156668478) is 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

What is the SMILES notation for 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The canonical SMILES for 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.Cc1ccc2ccc3nc(-c4[c-]ccc5c4oc4nc(C(F)(F)F)ccc45)n(-c4c(C(C)C)cccc4C(C)C)c3c2n1.[Ir].

What is the InChIKey of 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The InChIKey is GKMFCLCEIRQIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28F3N4O.C15H18GeN.Ir/c1-18(2)22-8-6-9-23(19(3)4)30(22)42-31-27(16-14-21-13-12-20(5)39-29(21)31)40-33(42)26-11-7-10-24-25-15-17-28(35(36,37)38)41-34(25)43-32(24)26;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-10,12-19H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;.

What are the key properties of 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 1054.77 g/mol, XLogP of 13.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 156668478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156668478 — identifiers, structure, computed properties (public domain)

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