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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane

C62H57IrN5OSi-2 — CID 156672257

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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane

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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane (PubChem CID 156672257) has the molecular formula C62H57IrN5OSi-2 and a molecular weight of 1108.47 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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane.

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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane
• PubChem CID: 156672257
• Molecular Formula: C62H57IrN5OSi-2
• Molecular Weight: 1108.47 g/mol
• Exact Mass: 1108.40
• 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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1cccc2ccccc12.Cc1ccc(C)c2c1oc1n[c-]c(-c3nc4cnc(C(C)C)cc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)cc12.[Ir]
• InChI: InChI=1S/C38H35N4O.C24H22NSi.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;1-26(2,3)24-17-25-23(19-11-5-4-6-12-19)16-22(24)21-15-9-13-18-10-7-8-14-20(18)21;/h8-19,21-22H,1-7H3;4-11,13-17H,1-3H3;/q2*-1
• InChIKey: UFBYHIOLIUJGFF-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.47
LogP ≤ 5	15.80
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'}

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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane?

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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane (CID 156672257) 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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane.

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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane?

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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1cccc2ccccc12.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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane?

The InChIKey is UFBYHIOLIUJGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N4O.C24H22NSi.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;1-26(2,3)24-17-25-23(19-11-5-4-6-12-19)16-22(24)21-15-9-13-18-10-7-8-14-20(18)21;/h8-19,21-22H,1-7H3;4-11,13-17H,1-3H3;/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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane?

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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane has a molecular weight of 1108.47 g/mol, XLogP of 15.80, 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-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156672257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).