2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole

C123H98Ir4N16-4 — CID 160710591

About 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole

2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole (PubChem CID 160710591) has the molecular formula C123H98Ir4N16-4 and a molecular weight of 2569.12 g/mol. Its IUPAC name is 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole.

Molecular Properties

• Compound Name: 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole
• PubChem CID: 160710591
• Molecular Formula: C123H98Ir4N16-4
• Molecular Weight: 2569.12 g/mol
• Exact Mass: 2570.67
• IUPAC Name: 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole
• SMILES: Cc1cc(-c2nnc(C)n2-c2ccccc2)[c-]cc1-n1c2ccccc2c2ccccc21.Cc1cc(C)cc(-c2cc(C)c(-n3c(C)nnc3-c3[c-]cc(-n4c5ccccc5c5ccccc54)cc3)c(C)c2)c1.Cc1cc2c3ccccc3n(-c3c[c-]c(-c4nnc(C)n4-c4ccccc4)cc3)c2cc1C.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c[c-]c(-c2nnc(C)n2-c2ccccc2)cc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C37H31N4.2C29H23N4.C28H21N4.4Ir/c1-23-18-24(2)20-29(19-23)30-21-25(3)36(26(4)22-30)40-27(5)38-39-37(40)28-14-16-31(17-15-28)41-34-12-8-6-10-32(34)33-11-7-9-13-35(33)41;1-19-17-26-25-11-7-8-12-27(25)33(28(26)18-20(19)2)24-15-13-22(14-16-24)29-31-30-21(3)32(29)23-9-5-4-6-10-23;1-19-9-15-27-25(17-19)26-18-20(2)10-16-28(26)33(27)24-13-11-22(12-14-24)29-31-30-21(3)32(29)23-7-5-4-6-8-23;1-19-18-21(28-30-29-20(2)31(28)22-10-4-3-5-11-22)16-17-25(19)32-26-14-8-6-12-23(26)24-13-7-9-15-27(24)32;;;;/h6-14,16-22H,1-5H3;4-13,15-18H,1-3H3;4-11,13-18H,1-3H3;3-15,17-18H,1-2H3;;;;/q4*-1
• InChIKey: JFDMQZCTKWGIMW-UHFFFAOYSA-N
• XLogP: 28.99
• TPSA: 142.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2569.12
LogP ≤ 5	28.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole?

The IUPAC name of 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole (CID 160710591) is 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole.

What is the SMILES notation for 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole?

The canonical SMILES for 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole is Cc1cc(-c2nnc(C)n2-c2ccccc2)[c-]cc1-n1c2ccccc2c2ccccc21.Cc1cc(C)cc(-c2cc(C)c(-n3c(C)nnc3-c3[c-]cc(-n4c5ccccc5c5ccccc54)cc3)c(C)c2)c1.Cc1cc2c3ccccc3n(-c3c[c-]c(-c4nnc(C)n4-c4ccccc4)cc3)c2cc1C.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c[c-]c(-c2nnc(C)n2-c2ccccc2)cc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole?

The InChIKey is JFDMQZCTKWGIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N4.2C29H23N4.C28H21N4.4Ir/c1-23-18-24(2)20-29(19-23)30-21-25(3)36(26(4)22-30)40-27(5)38-39-37(40)28-14-16-31(17-15-28)41-34-12-8-6-10-32(34)33-11-7-9-13-35(33)41;1-19-17-26-25-11-7-8-12-27(25)33(28(26)18-20(19)2)24-15-13-22(14-16-24)29-31-30-21(3)32(29)23-9-5-4-6-10-23;1-19-9-15-27-25(17-19)26-18-20(2)10-16-28(26)33(27)24-13-11-22(12-14-24)29-31-30-21(3)32(29)23-7-5-4-6-8-23;1-19-18-21(28-30-29-20(2)31(28)22-10-4-3-5-11-22)16-17-25(19)32-26-14-8-6-12-23(26)24-13-7-9-15-27(24)32;;;;/h6-14,16-22H,1-5H3;4-13,15-18H,1-3H3;4-11,13-18H,1-3H3;3-15,17-18H,1-2H3;;;;/q4*-1;;;;.

What are the key properties of 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole?

2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole has a molecular weight of 2569.12 g/mol, XLogP of 28.99, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;3,6-dimethyl-9-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)-2,6-dimethylphenyl]-5-methyl-1,2,4-triazol-3-yl]benzene-5-id-1-yl]carbazole;tetrakis(iridium);9-[2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)benzene-5-id-1-yl]carbazole is sourced from PubChem (CID 160710591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).