4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane

C43H39FGeIrN2S-2 — CID 164712310

About 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane

4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane (PubChem CID 164712310) has the molecular formula C43H39FGeIrN2S-2 and a molecular weight of 899.69 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
• PubChem CID: 164712310
• Molecular Formula: C43H39FGeIrN2S-2
• Molecular Weight: 899.69 g/mol
• Exact Mass: 901.17
• IUPAC Name: 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.Fc1ccc2sc3c[c-]c(-c4cc(CC5CCCC5)ccn4)cc3c2c1.[Ir]
• InChI: InChI=1S/C23H19FNS.C20H20GeN.Ir/c24-18-6-8-23-20(14-18)19-13-17(5-7-22(19)26-23)21-12-16(9-10-25-21)11-15-3-1-2-4-15;1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;/h6-10,12-15H,1-4,11H2;4-12,14-15H,1-3H3;/q2*-1
• InChIKey: OJULTPWFBAGPJE-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.69
LogP ≤ 5	11.55
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-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?

The IUPAC name of 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane (CID 164712310) is 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.Fc1ccc2sc3c[c-]c(-c4cc(CC5CCCC5)ccn4)cc3c2c1.[Ir].

What is the InChIKey of 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?

The InChIKey is OJULTPWFBAGPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FNS.C20H20GeN.Ir/c24-18-6-8-23-20(14-18)19-13-17(5-7-22(19)26-23)21-12-16(9-10-25-21)11-15-3-1-2-4-15;1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;/h6-10,12-15H,1-4,11H2;4-12,14-15H,1-3H3;/q2*-1;.

What are the key properties of 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?

4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 899.69 g/mol, XLogP of 11.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopentylmethyl)-2-(8-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 164712310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).