9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole

C247H229F6Ir3N37Pt4+ — CID 162185740

About 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole (PubChem CID 162185740) has the molecular formula C247H229F6Ir3N37Pt4+ and a molecular weight of 5186.76 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole.

Molecular Properties

• Compound Name: 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole
• PubChem CID: 162185740
• Molecular Formula: C247H229F6Ir3N37Pt4+
• Molecular Weight: 5186.76 g/mol
• Exact Mass: 5185.64
• IUPAC Name: 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole
• SMILES: Cc1c(-c2[c-]cccc2)ncn1C.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1ccc[c-]c1-c1ncn(C)c1C.Cc1ccc[c-]c1-c1ncn(CC(F)(F)F)c1C.Cc1ccc[c-]c1-c1ncn(CC(F)(F)F)c1C.Cc1ccc[c-]c1-n1nc[n+](C)c1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nn(-c2[c-]cccc2)c(C)c1C.Cn1cnc(-c2[c-]cccc2-c2ccccc2)c1.Cn1cnc(-c2[c-]cccc2-c2ccccc2)c1.Cn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.[Ir+3].[Ir+3].[Ir+3].[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C36H24N2.2C16H13N2.2C13H12F3N2.5C12H11N2.5C12H13N2.C11H13N3.2C11H11N2.3Ir.4Pt/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;2*1-18-11-16(17-12-18)15-10-6-5-9-14(15)13-7-3-2-4-8-13;2*1-9-5-3-4-6-11(9)12-10(2)18(8-17-12)7-13(14,15)16;5*1-14-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14;1-9-6-4-5-7-11(9)12-10(2)14(3)8-13-12;3*1-9-12(13-10(2)14(9)3)11-7-5-4-6-8-11;1-9-10(2)13-14(11(9)3)12-7-5-4-6-8-12;1-9-6-4-5-7-11(9)14-10(2)13(3)8-12-14;1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;;;;;;;/h1-24H;2*2-9,11-12H,1H3;2*3-5,8H,7H2,1-2H3;5*2-4,8H,6-7H2,1H3;4-6,8H,1-3H3;4*4-7H,1-3H3;4-6,8H,1-3H3;2*3-6,8H,1-2H3;;;;;;;/q;14*-1;;2*-1;3*+3;4*+2
• InChIKey: LASYNKPSXJNXKX-UHFFFAOYSA-N
• XLogP: 51.84
• TPSA: 316.68 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 297
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5186.76
LogP ≤ 5	51.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole?

The IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole (CID 162185740) is 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole.

What is the SMILES notation for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole?

The canonical SMILES for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole is Cc1c(-c2[c-]cccc2)ncn1C.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1ccc[c-]c1-c1ncn(C)c1C.Cc1ccc[c-]c1-c1ncn(CC(F)(F)F)c1C.Cc1ccc[c-]c1-c1ncn(CC(F)(F)F)c1C.Cc1ccc[c-]c1-n1nc[n+](C)c1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nn(-c2[c-]cccc2)c(C)c1C.Cn1cnc(-c2[c-]cccc2-c2ccccc2)c1.Cn1cnc(-c2[c-]cccc2-c2ccccc2)c1.Cn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.[Ir+3].[Ir+3].[Ir+3].[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole?

The InChIKey is LASYNKPSXJNXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2.2C16H13N2.2C13H12F3N2.5C12H11N2.5C12H13N2.C11H13N3.2C11H11N2.3Ir.4Pt/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;2*1-18-11-16(17-12-18)15-10-6-5-9-14(15)13-7-3-2-4-8-13;2*1-9-5-3-4-6-11(9)12-10(2)18(8-17-12)7-13(14,15)16;5*1-14-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14;1-9-6-4-5-7-11(9)12-10(2)14(3)8-13-12;3*1-9-12(13-10(2)14(9)3)11-7-5-4-6-8-11;1-9-10(2)13-14(11(9)3)12-7-5-4-6-8-12;1-9-6-4-5-7-11(9)14-10(2)13(3)8-12-14;1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;;;;;;;/h1-24H;2*2-9,11-12H,1H3;2*3-5,8H,7H2,1-2H3;5*2-4,8H,6-7H2,1H3;4-6,8H,1-3H3;4*4-7H,1-3H3;4-6,8H,1-3H3;2*3-6,8H,1-2H3;;;;;;;/q;14*-1;;2*-1;3*+3;4*+2.

What are the key properties of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole?

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole has a molecular weight of 5186.76 g/mol, XLogP of 51.84, 19 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));pentakis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);tetrakis(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole);3,4,5-trimethyl-1-phenylpyrazole is sourced from PubChem (CID 162185740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).