2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C64H60GeIrN4O-2 — CID 164827322

About 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 164827322) has the molecular formula C64H60GeIrN4O-2 and a molecular weight of 1169.06 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 164827322
• Molecular Formula: C64H60GeIrN4O-2
• Molecular Weight: 1169.06 g/mol
• Exact Mass: 1170.38
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2nc3ccccc3cc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C(C)(C)c3ccccc3)c([Ge](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C40H32N3O.C24H28GeN.Ir/c1-24(2)32-21-28(26-13-6-5-7-14-26)22-33(25(3)4)37(32)43-35-23-27-15-8-10-19-34(27)41-39(35)42-40(43)31-18-12-17-30-29-16-9-11-20-36(29)44-38(30)31;1-18-12-14-19(15-13-18)23-16-21(22(17-26-23)25(4,5)6)24(2,3)20-10-8-7-9-11-20;/h5-17,19-25H,1-4H3;7-14,16-17H,1-6H3;/q2*-1;/i;1D3
• InChIKey: SPEMPVPEOBLDIY-ICMJTWPQSA-N
• XLogP: 16.58
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.06
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 164827322) is 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2nc3ccccc3cc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C(C)(C)c3ccccc3)c([Ge](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is SPEMPVPEOBLDIY-ICMJTWPQSA-N. The full InChI is InChI=1S/C40H32N3O.C24H28GeN.Ir/c1-24(2)32-21-28(26-13-6-5-7-14-26)22-33(25(3)4)37(32)43-35-23-27-15-8-10-19-34(27)41-39(35)42-40(43)31-18-12-17-30-29-16-9-11-20-36(29)44-38(30)31;1-18-12-14-19(15-13-18)23-16-21(22(17-26-23)25(4,5)6)24(2,3)20-10-8-7-9-11-20;/h5-17,19-25H,1-4H3;7-14,16-17H,1-6H3;/q2*-1;/i;1D3;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 1169.06 g/mol, XLogP of 16.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoline;iridium;trimethyl-[4-(2-phenylpropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 164827322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).