iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane

C41H36GeIrN2O-2 — CID 166578651

About iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166578651) has the molecular formula C41H36GeIrN2O-2 and a molecular weight of 837.58 g/mol. Its IUPAC name is iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 166578651
• Molecular Formula: C41H36GeIrN2O-2
• Molecular Weight: 837.58 g/mol
• Exact Mass: 839.17
• IUPAC Name: iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1cc2c(cc1-c1nccc3c1CCCC3)oc1ccc(-c3ccccc3)cc12
• InChI: InChI=1S/C27H20NO.C14H16GeN.Ir/c1-2-6-18(7-3-1)20-11-13-25-24(16-20)23-12-10-21(17-26(23)29-25)27-22-9-5-4-8-19(22)14-15-28-27;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-3,6-7,11-17H,4-5,8-9H2;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: XMKOAGNIKDLZBO-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.58
LogP ≤ 5	10.09
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 iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166578651) is iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1cc2c(cc1-c1nccc3c1CCCC3)oc1ccc(-c3ccccc3)cc12.

What is the InChIKey of iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is XMKOAGNIKDLZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20NO.C14H16GeN.Ir/c1-2-6-18(7-3-1)20-11-13-25-24(16-20)23-12-10-21(17-26(23)29-25)27-22-9-5-4-8-19(22)14-15-28-27;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-3,6-7,11-17H,4-5,8-9H2;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane?

iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 837.58 g/mol, XLogP of 10.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;1-(8-phenyl-2H-dibenzofuran-2-id-3-yl)-5,6,7,8-tetrahydroisoquinoline;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166578651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).