5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)

C107H79F3Ir3N16OS5-6 — CID 159623500

About 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;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;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine) (PubChem CID 159623500) has the molecular formula C107H79F3Ir3N16OS5-6 and a molecular weight of 2398.90 g/mol. Its IUPAC name is 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;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;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)
• PubChem CID: 159623500
• Molecular Formula: C107H79F3Ir3N16OS5-6
• Molecular Weight: 2398.90 g/mol
• Exact Mass: 2399.41
• IUPAC Name: 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)
• SMILES: CC(C)c1ccnc(-c2[c-]ccc3c2sc2ccccc23)c1.Cn1c2ccc(-c3ccccc3)cc2c2cc[c-]c(-c3ccccn3)c21.FC(F)(F)c1c[c-]c(-c2nnc(-c3ccccc3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccc(C4CCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1
• InChI: InChI=1S/C28H28NO.C24H17N2.C20H16NS.C15H8F3N4.2C10H5N4S2.3Ir/c1-2-7-20(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;1-26-23-14-13-18(17-8-3-2-4-9-17)16-21(23)19-10-7-11-20(24(19)26)22-12-5-6-15-25-22;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;16-15(17,18)12-8-6-11(7-9-12)14-21-19-13(20-22-14)10-4-2-1-3-5-10;2*1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8;;;/h6,11,13-20H,1-5,7-10H2;2-10,12-16H,1H3;3-7,9-13H,1-2H3;1-6,8-9H;2*1-3,5-6H;;;/q6*-1
• InChIKey: DPLXUAXLINJDHH-UHFFFAOYSA-N
• XLogP: 28.51
• TPSA: 211.42 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.90
LogP ≤ 5	28.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;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;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine) (CID 159623500) is 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;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;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;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;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine) is CC(C)c1ccnc(-c2[c-]ccc3c2sc2ccccc23)c1.Cn1c2ccc(-c3ccccc3)cc2c2cc[c-]c(-c3ccccn3)c21.FC(F)(F)c1c[c-]c(-c2nnc(-c3ccccc3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccc(C4CCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1.

What is the InChIKey of 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)?

The InChIKey is DPLXUAXLINJDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28NO.C24H17N2.C20H16NS.C15H8F3N4.2C10H5N4S2.3Ir/c1-2-7-20(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;1-26-23-14-13-18(17-8-3-2-4-9-17)16-21(23)19-10-7-11-20(24(19)26)22-12-5-6-15-25-22;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;16-15(17,18)12-8-6-11(7-9-12)14-21-19-13(20-22-14)10-4-2-1-3-5-10;2*1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8;;;/h6,11,13-20H,1-5,7-10H2;2-10,12-16H,1H3;3-7,9-13H,1-2H3;1-6,8-9H;2*1-3,5-6H;;;/q6*-1;;;.

What are the key properties of 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;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;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine) has a molecular weight of 2398.90 g/mol, XLogP of 28.51, 13 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine) is sourced from PubChem (CID 159623500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).