iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C42H40GeIrN2O-2 — CID 166576767

About iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 166576767) has the molecular formula C42H40GeIrN2O-2 and a molecular weight of 859.66 g/mol. Its IUPAC name is iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 166576767
• Molecular Formula: C42H40GeIrN2O-2
• Molecular Weight: 859.66 g/mol
• Exact Mass: 861.24
• IUPAC Name: iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc3c(c2)oc2c(-c4cc(C(C)C)ccn4)[c-]ccc23)cc1.[Ir]
• InChI: InChI=1S/C27H22NO.C15H18GeN.Ir/c1-17(2)20-13-14-28-25(15-20)24-6-4-5-23-22-12-11-21(16-26(22)29-27(23)24)19-9-7-18(3)8-10-19;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h4-5,7-17H,1-3H3;5-7,9-11H,1-4H3;/q2*-1;/i3D3;1D3
• InChIKey: YVZZJKZXJNOQOV-PIYDAZIPSA-N
• XLogP: 10.95
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.66
LogP ≤ 5	10.95
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;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The IUPAC name of iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 166576767) is iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

What is the SMILES notation for iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The canonical SMILES for iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is [2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc3c(c2)oc2c(-c4cc(C(C)C)ccn4)[c-]ccc23)cc1.[Ir].

What is the InChIKey of iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is YVZZJKZXJNOQOV-PIYDAZIPSA-N. The full InChI is InChI=1S/C27H22NO.C15H18GeN.Ir/c1-17(2)20-13-14-28-25(15-20)24-6-4-5-23-22-12-11-21(16-26(22)29-27(23)24)19-9-7-18(3)8-10-19;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h4-5,7-17H,1-3H3;5-7,9-11H,1-4H3;/q2*-1;/i3D3;1D3;.

What are the key properties of iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 859.66 g/mol, XLogP of 10.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 166576767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).