3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane

C55H57GeIrN5O-2 — CID 156669425

About 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane

3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane (PubChem CID 156669425) has the molecular formula C55H57GeIrN5O-2 and a molecular weight of 1068.92 g/mol. Its IUPAC name is 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
• PubChem CID: 156669425
• Molecular Formula: C55H57GeIrN5O-2
• Molecular Weight: 1068.92 g/mol
• Exact Mass: 1070.34
• IUPAC Name: 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
• SMILES: CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc(C)c2c1oc1n[c-]c(-c3nc4cnc(C(C)C)cc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)cc12.[Ir]
• InChI: InChI=1S/C38H35N4O.C17H22GeN.Ir/c1-22(2)30-19-33-31(21-39-30)41-36(27-17-28-34-23(3)13-14-24(4)35(34)43-37(28)40-20-27)42(33)32-16-15-26(18-29(32)38(5,6)7)25-11-9-8-10-12-25;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h8-19,21-22H,1-7H3;6-9,11-13H,1-5H3;/q2*-1
• InChIKey: JHTPMRXPCDYJAY-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1068.92
LogP ≤ 5	14.10
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 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane?

The IUPAC name of 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane (CID 156669425) is 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane.

What is the SMILES notation for 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane?

The canonical SMILES for 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane is CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc(C)c2c1oc1n[c-]c(-c3nc4cnc(C(C)C)cc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)cc12.[Ir].

What is the InChIKey of 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane?

The InChIKey is JHTPMRXPCDYJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N4O.C17H22GeN.Ir/c1-22(2)30-19-33-31(21-39-30)41-36(27-17-28-34-23(3)13-14-24(4)35(34)43-37(28)40-20-27)42(33)32-16-15-26(18-29(32)38(5,6)7)25-11-9-8-10-12-25;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h8-19,21-22H,1-7H3;6-9,11-13H,1-5H3;/q2*-1;.

What are the key properties of 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane?

3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane has a molecular weight of 1068.92 g/mol, XLogP of 14.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane is sourced from PubChem (CID 156669425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).