5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)

C81H85Ir2N10O6S4-3 — CID 159572648

About 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)

5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine) (PubChem CID 159572648) has the molecular formula C81H85Ir2N10O6S4-3 and a molecular weight of 1807.34 g/mol. Its IUPAC name is 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine).

Molecular Properties

• Compound Name: 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)
• PubChem CID: 159572648
• Molecular Formula: C81H85Ir2N10O6S4-3
• Molecular Weight: 1807.34 g/mol
• Exact Mass: 1807.48
• IUPAC Name: 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)
• SMILES: CCO.CO.CO.CO.[Ir].[Ir].[c-]1ccc2c(oc3ccc(C4CCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1.c1cc(-c2ccc(C3CCCCC3)cn2)c2oc3ccc(C4CCCC4)cc3c2c1
• InChI: InChI=1S/C28H29NO.C28H28NO.2C10H5N4S2.C2H6O.3CH4O.2Ir/c2*1-2-7-20(8-3-1)22-13-15-26(29-18-22)24-12-6-11-23-25-17-21(19-9-4-5-10-19)14-16-27(25)30-28(23)24;2*1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8;1-2-3;3*1-2;;/h6,11-20H,1-5,7-10H2;6,11,13-20H,1-5,7-10H2;2*1-3,5-6H;3H,2H2,1H3;3*2H,1H3;;/q;3*-1
• InChIKey: OSXVLZIPRMVKQV-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 236.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.34
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)?

The IUPAC name of 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine) (CID 159572648) is 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine).

What is the SMILES notation for 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)?

The canonical SMILES for 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine) is CCO.CO.CO.CO.[Ir].[Ir].[c-]1ccc2c(oc3ccc(C4CCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1.c1cc(-c2ccc(C3CCCCC3)cn2)c2oc3ccc(C4CCCC4)cc3c2c1.

What is the InChIKey of 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)?

The InChIKey is OSXVLZIPRMVKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO.C28H28NO.2C10H5N4S2.C2H6O.3CH4O.2Ir/c2*1-2-7-20(8-3-1)22-13-15-26(29-18-22)24-12-6-11-23-25-17-21(19-9-4-5-10-19)14-16-27(25)30-28(23)24;2*1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8;1-2-3;3*1-2;;/h6,11-20H,1-5,7-10H2;6,11,13-20H,1-5,7-10H2;2*1-3,5-6H;3H,2H2,1H3;3*2H,1H3;;/q;3*-1;;;;;;.

What are the key properties of 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)?

5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine) has a molecular weight of 1807.34 g/mol, XLogP of 20.37, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-cyclohexyl-2-(8-cyclopentyldibenzofuran-4-yl)pyridine;ethanol;bis(iridium);methanol;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine) is sourced from PubChem (CID 159572648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).