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

C52H55GeIrN5O-2 — CID 156668182

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

[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide (PubChem CID 156668182) has the molecular formula C52H55GeIrN5O-2 and a molecular weight of 1030.87 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide.

Molecular Properties

• Compound Name: [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide
• PubChem CID: 156668182
• Molecular Formula: C52H55GeIrN5O-2
• Molecular Weight: 1030.87 g/mol
• Exact Mass: 1032.33
• IUPAC Name: [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide
• SMILES: C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CCC1C2.Cc1cc(C)c(-n2c(-c3[c-]cc(C)c4c3oc3c(C)nc(C)cc34)nc3cnc(C)cc32)c(C)c1.[Ir]
• InChI: InChI=1S/C30H27N4O.C22H28GeN.Ir/c1-15-10-17(3)27(18(4)11-15)34-25-13-19(5)31-14-24(25)33-30(34)22-9-8-16(2)26-23-12-20(6)32-21(7)28(23)35-29(22)26;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;/h8,10-14H,1-7H3;4-7,14-16,18-19H,9-13H2,1-3H3;/q2*-1
• InChIKey: VIMQKPTXWBRHJM-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.87
LogP ≤ 5	12.41
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;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide?

The IUPAC name of [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide (CID 156668182) is [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide.

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

The canonical SMILES for [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CCC1C2.Cc1cc(C)c(-n2c(-c3[c-]cc(C)c4c3oc3c(C)nc(C)cc34)nc3cnc(C)cc32)c(C)c1.[Ir].

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

The InChIKey is VIMQKPTXWBRHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N4O.C22H28GeN.Ir/c1-15-10-17(3)27(18(4)11-15)34-25-13-19(5)31-14-24(25)33-30(34)22-9-8-16(2)26-23-12-20(6)32-21(7)28(23)35-29(22)26;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;/h8,10-14H,1-7H3;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;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide?

[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide has a molecular weight of 1030.87 g/mol, XLogP of 12.41, 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;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide is sourced from PubChem (CID 156668182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).