3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine

C117H114Ir5N7-4 — CID 158550719

About 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine

3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine (PubChem CID 158550719) has the molecular formula C117H114Ir5N7-4 and a molecular weight of 2579.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine.

Molecular Properties

• Compound Name: 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
• PubChem CID: 158550719
• Molecular Formula: C117H114Ir5N7-4
• Molecular Weight: 2579.33 g/mol
• Exact Mass: 2581.73
• IUPAC Name: 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
• SMILES: C.C.C.C.Cc1ccc(-c2[c-]cc(CCc3cc(CCc4c[c-]c(-c5ncc(C)cc5C)cc4)cc(CCc4c[c-]c(-c5ccc(C)cn5)c(C)c4)c3)cc2)nc1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]ccc(-c3ccccc3C)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cnc2c(c1)CCc1ccc[c-]c1-2.[Ir+3].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C50H46N3.C19H16N.C18H14N.C14H12N.C12H10N.4CH4.5Ir/c1-34-6-24-48(51-31-34)45-19-14-39(15-20-45)8-11-42-28-43(12-9-40-16-21-46(22-17-40)50-38(5)26-36(3)33-53-50)30-44(29-42)13-10-41-18-23-47(37(4)27-41)49-25-7-35(2)32-52-49;1-14-10-11-19(20-13-14)17-8-5-7-16(12-17)18-9-4-3-6-15(18)2;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)15-9-10;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;;;;;/h6-7,14-19,21,24-33H,8-13H2,1-5H3;3-7,9-13H,1-2H3;2-8,10-13H,1H3;2-4,8-9H,6-7H2,1H3;2-5,7-9H,1H3;4*1H4;;;;;/q-3;4*-1;;;;;;;;;+3
• InChIKey: UQLIWPRRYZFTLR-UHFFFAOYSA-N
• XLogP: 28.87
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2579.33
LogP ≤ 5	28.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine?

The IUPAC name of 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine (CID 158550719) is 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine.

What is the SMILES notation for 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine?

The canonical SMILES for 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine is C.C.C.C.Cc1ccc(-c2[c-]cc(CCc3cc(CCc4c[c-]c(-c5ncc(C)cc5C)cc4)cc(CCc4c[c-]c(-c5ccc(C)cn5)c(C)c4)c3)cc2)nc1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]ccc(-c3ccccc3C)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cnc2c(c1)CCc1ccc[c-]c1-2.[Ir+3].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine?

The InChIKey is UQLIWPRRYZFTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N3.C19H16N.C18H14N.C14H12N.C12H10N.4CH4.5Ir/c1-34-6-24-48(51-31-34)45-19-14-39(15-20-45)8-11-42-28-43(12-9-40-16-21-46(22-17-40)50-38(5)26-36(3)33-53-50)30-44(29-42)13-10-41-18-23-47(37(4)27-41)49-25-7-35(2)32-52-49;1-14-10-11-19(20-13-14)17-8-5-7-16(12-17)18-9-4-3-6-15(18)2;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)15-9-10;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;;;;;/h6-7,14-19,21,24-33H,8-13H2,1-5H3;3-7,9-13H,1-2H3;2-8,10-13H,1H3;2-4,8-9H,6-7H2,1H3;2-5,7-9H,1H3;4*1H4;;;;;/q-3;4*-1;;;;;;;;;+3.

What are the key properties of 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine?

3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine has a molecular weight of 2579.33 g/mol, XLogP of 28.87, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine is sourced from PubChem (CID 158550719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).