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

C42H45FGeIrN2S-2 — CID 164712602

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

4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 164712602) has the molecular formula C42H45FGeIrN2S-2 and a molecular weight of 893.73 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 164712602
• Molecular Formula: C42H45FGeIrN2S-2
• Molecular Weight: 893.73 g/mol
• Exact Mass: 895.21
• IUPAC Name: 4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Fc1c(-c2cc(CC3CCCC3)ccn2)[c-]cc2sc3ccccc3c12.[Ir]
• InChI: InChI=1S/C23H19FNS.C19H26GeN.Ir/c24-23-17(9-10-21-22(23)18-7-3-4-8-20(18)26-21)19-14-16(11-12-25-19)13-15-5-1-2-6-15;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-4,7-8,10-12,14-15H,1-2,5-6,13H2;7-10,12,14H,13H2,1-6H3;/q2*-1
• InChIKey: OQWNDYCHCDUKEG-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.73
LogP ≤ 5	11.47
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-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 164712602) is 4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

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

The canonical SMILES for 4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Fc1c(-c2cc(CC3CCCC3)ccn2)[c-]cc2sc3ccccc3c12.[Ir].

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

The InChIKey is OQWNDYCHCDUKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FNS.C19H26GeN.Ir/c24-23-17(9-10-21-22(23)18-7-3-4-8-20(18)26-21)19-14-16(11-12-25-19)13-15-5-1-2-6-15;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-4,7-8,10-12,14-15H,1-2,5-6,13H2;7-10,12,14H,13H2,1-6H3;/q2*-1;.

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

4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 893.73 g/mol, XLogP of 11.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 164712602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).