8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C50H55GeIrN3O-2 — CID 155610715

About 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 155610715) has the molecular formula C50H55GeIrN3O-2 and a molecular weight of 978.84 g/mol. Its IUPAC name is 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 155610715
• Molecular Formula: C50H55GeIrN3O-2
• Molecular Weight: 978.84 g/mol
• Exact Mass: 980.32
• IUPAC Name: 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc(C)c(-c2ccc3c(n2)oc2c(-c4cc(CC5CCCC5)ccn4)[c-]cc(C)c23)c(C)c1.[Ir]
• InChI: InChI=1S/C32H31N2O.C18H24GeN.Ir/c1-19-15-21(3)29(22(4)16-19)27-12-11-26-30-20(2)9-10-25(31(30)35-32(26)34-27)28-18-24(13-14-33-28)17-23-7-5-6-8-23;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h9,11-16,18,23H,5-8,17H2,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: JVXWULQZZJTKJO-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	978.84
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 155610715) is 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc(C)c(-c2ccc3c(n2)oc2c(-c4cc(CC5CCCC5)ccn4)[c-]cc(C)c23)c(C)c1.[Ir].

What is the InChIKey of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is JVXWULQZZJTKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N2O.C18H24GeN.Ir/c1-19-15-21(3)29(22(4)16-19)27-12-11-26-30-20(2)9-10-25(31(30)35-32(26)34-27)28-18-24(13-14-33-28)17-23-7-5-6-8-23;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h9,11-16,18,23H,5-8,17H2,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 978.84 g/mol, XLogP of 12.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 155610715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).