4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

C50H54GeIrN2S-2 — CID 155610439

About 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 155610439) has the molecular formula C50H54GeIrN2S-2 and a molecular weight of 981.90 g/mol. Its IUPAC name is 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 155610439
• Molecular Formula: C50H54GeIrN2S-2
• Molecular Weight: 981.90 g/mol
• Exact Mass: 983.30
• IUPAC Name: 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CC(C)(c1ccnc(-c2[c-]cc3sc4cc(-c5ccccc5)ccc4c3c2)c1)C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[Ir]
• InChI: InChI=1S/C31H28NS.C19H26GeN.Ir/c1-31(2,24-10-6-7-11-24)25-16-17-32-28(20-25)23-13-15-29-27(18-23)26-14-12-22(19-30(26)33-29)21-8-4-3-5-9-21;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-5,8-9,12,14-20,24H,6-7,10-11H2,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i;13D2
• InChIKey: GQFJSNLUPAKFCI-WZRNLJISSA-N
• XLogP: 13.73
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.90
LogP ≤ 5	13.73
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-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 155610439) is 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is CC(C)(c1ccnc(-c2[c-]cc3sc4cc(-c5ccccc5)ccc4c3c2)c1)C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[Ir].

What is the InChIKey of 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is GQFJSNLUPAKFCI-WZRNLJISSA-N. The full InChI is InChI=1S/C31H28NS.C19H26GeN.Ir/c1-31(2,24-10-6-7-11-24)25-16-17-32-28(20-25)23-13-15-29-27(18-23)26-14-12-22(19-30(26)33-29)21-8-4-3-5-9-21;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-5,8-9,12,14-20,24H,6-7,10-11H2,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i;13D2;.

What are the key properties of 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 981.90 g/mol, XLogP of 13.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 155610439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).