bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C119H124F3Ir4N18O2-7 — CID 162010208

About bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 162010208) has the molecular formula C119H124F3Ir4N18O2-7 and a molecular weight of 2664.29 g/mol. Its IUPAC name is bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 162010208
• Molecular Formula: C119H124F3Ir4N18O2-7
• Molecular Weight: 2664.29 g/mol
• Exact Mass: 2665.87
• IUPAC Name: bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CC(O)CC(C)O.Cc1[c-]c(-c2nc3ccccc3nc2C)cc(C)c1.Cc1[c-]c(-c2nc3ccccc3nc2CC(C)C)cc(C)c1.Cc1cc(-c2ccccn2)[n-]n1.Cc1nc2ccccc2nc1-c1[c-]c(CC(C)C)cc(CC(C)C)c1.Cc1nc2ccccc2nc1-c1[c-]c(CC(C)C)cc(CC(C)C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2n[n-]c(-c3ccccn3)n2)cc1
• InChI: InChI=1S/2C23H27N2.C20H21N2.C17H15N2.C13H9N4.C9H5F3N3.C9H8N3.C5H12O2.4Ir/c2*1-15(2)10-18-12-19(11-16(3)4)14-20(13-18)23-17(5)24-21-8-6-7-9-22(21)25-23;1-13(2)9-19-20(16-11-14(3)10-15(4)12-16)22-18-8-6-5-7-17(18)21-19;1-11-8-12(2)10-14(9-11)17-13(3)18-15-6-4-5-7-16(15)19-17;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-4(6)3-5(2)7;;;;/h2*6-9,12-13,15-16H,10-11H2,1-5H3;5-8,10-11,13H,9H2,1-4H3;4-9H,1-3H3;1-9H;1-5H;2-6H,1H3;4-7H,3H2,1-2H3;;;;/q7*-1
• InChIKey: CTRMPLOZXSDPGG-UHFFFAOYSA-N
• XLogP: 26.36
• TPSA: 276.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2664.29
LogP ≤ 5	26.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 162010208) is bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(O)CC(C)O.Cc1[c-]c(-c2nc3ccccc3nc2C)cc(C)c1.Cc1[c-]c(-c2nc3ccccc3nc2CC(C)C)cc(C)c1.Cc1cc(-c2ccccn2)[n-]n1.Cc1nc2ccccc2nc1-c1[c-]c(CC(C)C)cc(CC(C)C)c1.Cc1nc2ccccc2nc1-c1[c-]c(CC(C)C)cc(CC(C)C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2n[n-]c(-c3ccccn3)n2)cc1.

What is the InChIKey of bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is CTRMPLOZXSDPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H27N2.C20H21N2.C17H15N2.C13H9N4.C9H5F3N3.C9H8N3.C5H12O2.4Ir/c2*1-15(2)10-18-12-19(11-16(3)4)14-20(13-18)23-17(5)24-21-8-6-7-9-22(21)25-23;1-13(2)9-19-20(16-11-14(3)10-15(4)12-16)22-18-8-6-5-7-17(18)21-19;1-11-8-12(2)10-14(9-11)17-13(3)18-15-6-4-5-7-16(15)19-17;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-4(6)3-5(2)7;;;;/h2*6-9,12-13,15-16H,10-11H2,1-5H3;5-8,10-11,13H,9H2,1-4H3;4-9H,1-3H3;1-9H;1-5H;2-6H,1H3;4-7H,3H2,1-2H3;;;;/q7*-1;;;;;.

What are the key properties of bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2664.29 g/mol, XLogP of 26.36, 20 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[3,5-bis(2-methylpropyl)benzene-6-id-1-yl]-3-methylquinoxaline);2-(3,5-dimethylbenzene-6-id-1-yl)-3-(2-methylpropyl)quinoxaline;2-(3,5-dimethylbenzene-6-id-1-yl)-3-methylquinoxaline;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentane-2,4-diol;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 162010208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).