4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C50H54GeIrN2O-2 — CID 155611856

About 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 155611856) has the molecular formula C50H54GeIrN2O-2 and a molecular weight of 963.82 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 155611856
• Molecular Formula: C50H54GeIrN2O-2
• Molecular Weight: 963.82 g/mol
• Exact Mass: 965.31
• IUPAC Name: 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;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(c2)oc2c(-c4cc(CC5CCCC5)ccn4)[c-]ccc23)c(C)c1.[Ir]
• InChI: InChI=1S/C32H30NO.C18H24GeN.Ir/c1-20-15-21(2)31(22(3)16-20)25-11-12-26-27-9-6-10-28(32(27)34-30(26)19-25)29-18-24(13-14-33-29)17-23-7-4-5-8-23;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h6,9,11-16,18-19,23H,4-5,7-8,17H2,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: ONIWONPWMQAGDD-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.82
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 155611856) is 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;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(c2)oc2c(-c4cc(CC5CCCC5)ccn4)[c-]ccc23)c(C)c1.[Ir].

What is the InChIKey of 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is ONIWONPWMQAGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30NO.C18H24GeN.Ir/c1-20-15-21(2)31(22(3)16-20)25-11-12-26-27-9-6-10-28(32(27)34-30(26)19-25)29-18-24(13-14-33-29)17-23-7-4-5-8-23;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h6,9,11-16,18-19,23H,4-5,7-8,17H2,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 963.82 g/mol, XLogP of 13.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 155611856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).