[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium

C54H53GeIrN3-2 — CID 171435697

About [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium (PubChem CID 171435697) has the molecular formula C54H53GeIrN3-2 and a molecular weight of 1015.91 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium.

Molecular Properties

• Compound Name: [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium
• PubChem CID: 171435697
• Molecular Formula: C54H53GeIrN3-2
• Molecular Weight: 1015.91 g/mol
• Exact Mass: 1017.35
• IUPAC Name: [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium
• SMILES: CC1(C)c2c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)cc2-c2ccccc21.[2H]c1[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[Ir]
• InChI: InChI=1S/C34H25N2.C20H28GeN.Ir/c1-34(2)29-13-7-6-12-27(29)28-22-25(18-21-30(28)34)33-35-31-14-8-9-15-32(31)36(33)26-19-16-24(17-20-26)23-10-4-3-5-11-23;1-15-8-10-16(11-9-15)19-12-17(13-20(2,3)4)18(14-22-19)21(5,6)7;/h3-17,19-22H,1-2H3;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,8D,9D,13D2
• InChIKey: YBCUNDHWCJOTLB-ZZOJDJMCSA-N
• XLogP: 13.45
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.91
LogP ≤ 5	13.45
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-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium?

The IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium (CID 171435697) is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium.

What is the SMILES notation for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium?

The canonical SMILES for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium is CC1(C)c2c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)cc2-c2ccccc21.[2H]c1[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[Ir].

What is the InChIKey of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium?

The InChIKey is YBCUNDHWCJOTLB-ZZOJDJMCSA-N. The full InChI is InChI=1S/C34H25N2.C20H28GeN.Ir/c1-34(2)29-13-7-6-12-27(29)28-22-25(18-21-30(28)34)33-35-31-14-8-9-15-32(31)36(33)26-19-16-24(17-20-26)23-10-4-3-5-11-23;1-15-8-10-16(11-9-15)19-12-17(13-20(2,3)4)18(14-22-19)21(5,6)7;/h3-17,19-22H,1-2H3;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,8D,9D,13D2;.

What are the key properties of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium?

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium has a molecular weight of 1015.91 g/mol, XLogP of 13.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-1-(4-phenylphenyl)benzimidazole;iridium is sourced from PubChem (CID 171435697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).