[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C54H59GeIrN5O-2 — CID 166498813

About [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 166498813) has the molecular formula C54H59GeIrN5O-2 and a molecular weight of 1058.93 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 166498813
• Molecular Formula: C54H59GeIrN5O-2
• Molecular Weight: 1058.93 g/mol
• Exact Mass: 1060.36
• IUPAC Name: [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CCC1C2.Cc1cc(C)c(-n2c(-c3[c-]cc(C)c4c3oc3nc(C(C)(C)C)ccc34)nc3cnc(C)cc32)c(C)c1.[Ir]
• InChI: InChI=1S/C32H31N4O.C22H28GeN.Ir/c1-17-13-19(3)28(20(4)14-17)36-25-15-21(5)33-16-24(25)34-30(36)23-10-9-18(2)27-22-11-12-26(32(6,7)8)35-31(22)37-29(23)27;1-23(2,3)21-15-24-22(17-7-5-4-6-8-17)14-20(21)13-19-12-16-9-10-18(19)11-16;/h9,11-16H,1-8H3;4-7,14-16,18-19H,9-13H2,1-3H3;/q2*-1
• InChIKey: GVQBDNMUNOVDHY-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1058.93
LogP ≤ 5	13.09
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 [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 166498813) is [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CCC1C2.Cc1cc(C)c(-n2c(-c3[c-]cc(C)c4c3oc3nc(C(C)(C)C)ccc34)nc3cnc(C)cc32)c(C)c1.[Ir].

What is the InChIKey of [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is GVQBDNMUNOVDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N4O.C22H28GeN.Ir/c1-17-13-19(3)28(20(4)14-17)36-25-15-21(5)33-16-24(25)34-30(36)23-10-9-18(2)27-22-11-12-26(32(6,7)8)35-31(22)37-29(23)27;1-23(2,3)21-15-24-22(17-7-5-4-6-8-17)14-20(21)13-19-12-16-9-10-18(19)11-16;/h9,11-16H,1-8H3;4-7,14-16,18-19H,9-13H2,1-3H3;/q2*-1;.

What are the key properties of [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 1058.93 g/mol, XLogP of 13.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 166498813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).