[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium

C52H51GeIrN5O-2 — CID 164825220

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium (PubChem CID 164825220) has the molecular formula C52H51GeIrN5O-2 and a molecular weight of 1027.85 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium
• PubChem CID: 164825220
• Molecular Formula: C52H51GeIrN5O-2
• Molecular Weight: 1027.85 g/mol
• Exact Mass: 1029.30
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccnnc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C35H29N4O.C17H22GeN.Ir/c1-21(2)28-19-24(23-11-6-5-7-12-23)20-29(22(3)4)32(28)39-34(37-30-17-18-36-38-35(30)39)27-15-10-14-26-25-13-8-9-16-31(25)40-33(26)27;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h5-14,16-22H,1-4H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: FZQOKZMVDNCXHF-LTBAMTPYSA-N
• XLogP: 13.31
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.85
LogP ≤ 5	13.31
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-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium (CID 164825220) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccnnc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium?

The InChIKey is FZQOKZMVDNCXHF-LTBAMTPYSA-N. The full InChI is InChI=1S/C35H29N4O.C17H22GeN.Ir/c1-21(2)28-19-24(23-11-6-5-7-12-23)20-29(22(3)4)32(28)39-34(37-30-17-18-36-38-35(30)39)27-15-10-14-26-25-13-8-9-16-31(25)40-33(26)27;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h5-14,16-22H,1-4H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium has a molecular weight of 1027.85 g/mol, XLogP of 13.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;6-(3H-dibenzofuran-3-id-4-yl)-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridazine;iridium is sourced from PubChem (CID 164825220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).