8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C57H53IrN5OSi-2 — CID 156672327

About 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156672327) has the molecular formula C57H53IrN5OSi-2 and a molecular weight of 1046.40 g/mol. Its IUPAC name is 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156672327
• Molecular Formula: C57H53IrN5OSi-2
• Molecular Weight: 1046.40 g/mol
• Exact Mass: 1046.38
• IUPAC Name: 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)(C)c1cc(-c2ccccc2)ccc1-n1c(-c2[c-]ccc3c2oc2nc(-c4ccccc4)ccc23)nc2ccncc21.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir]
• InChI: InChI=1S/C39H29N4O.C18H24NSi.Ir/c1-39(2,3)31-23-27(25-11-6-4-7-12-25)17-20-34(31)43-35-24-40-22-21-33(35)41-37(43)30-16-10-15-28-29-18-19-32(26-13-8-5-9-14-26)42-38(29)44-36(28)30;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-15,17-24H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2
• InChIKey: MQQFDLCHAOLTBT-YXZWVCJGSA-N
• XLogP: 14.10
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.40
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 156672327) is 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)c1cc(-c2ccccc2)ccc1-n1c(-c2[c-]ccc3c2oc2nc(-c4ccccc4)ccc23)nc2ccncc21.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir].

What is the InChIKey of 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is MQQFDLCHAOLTBT-YXZWVCJGSA-N. The full InChI is InChI=1S/C39H29N4O.C18H24NSi.Ir/c1-39(2,3)31-23-27(25-11-6-4-7-12-25)17-20-34(31)43-35-24-40-22-21-33(35)41-37(43)30-16-10-15-28-29-18-19-32(26-13-8-5-9-14-26)42-38(29)44-36(28)30;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-15,17-24H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;/i;11D2;.

What are the key properties of 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1046.40 g/mol, XLogP of 14.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156672327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).