2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile

C104H106FIr4N15O-4 — CID 162124128

About 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile

2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile (PubChem CID 162124128) has the molecular formula C104H106FIr4N15O-4 and a molecular weight of 2369.96 g/mol. Its IUPAC name is 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile
• PubChem CID: 162124128
• Molecular Formula: C104H106FIr4N15O-4
• Molecular Weight: 2369.96 g/mol
• Exact Mass: 2371.72
• IUPAC Name: 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile
• SMILES: CCCCc1cc[c-]c(-c2cc(-c3nc(C)nc(C)n3)ccn2)c1.CCCN(CCC)C(=O)c1cc[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)cn2)c1.CCCc1cc(C)c(-n2c(F)cnc2-c2nc(-c3c(C)cc(C)cc3C)c[n-]2)c(C)c1.CCCc1cc(C)cc(CCC)c1-n1cc(C#N)nc1-c1[c-]ccc(C=C(C)C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C31H27N4O.C27H30N3.C26H28FN4.C20H21N4.4Ir/c1-3-16-34(17-4-2)31(36)23-11-9-10-22(18-23)27-19-30(24(20-32)21-33-27)35-28-14-7-5-12-25(28)26-13-6-8-15-29(26)35;1-6-9-22-14-20(5)15-23(10-7-2)26(22)30-18-25(17-28)29-27(30)24-12-8-11-21(16-24)13-19(3)4;1-7-8-20-11-18(5)24(19(6)12-20)31-22(27)14-29-26(31)25-28-13-21(30-25)23-16(3)9-15(2)10-17(23)4;1-4-5-7-16-8-6-9-17(12-16)19-13-18(10-11-21-19)20-23-14(2)22-15(3)24-20;;;;/h5-9,11-15,18-19,21H,3-4,16-17H2,1-2H3;8,11,13-16,18H,6-7,9-10H2,1-5H3;9-14H,7-8H2,1-6H3;6,8,10-13H,4-5,7H2,1-3H3;;;;/q4*-1
• InChIKey: PRYROYOOCSEEET-UHFFFAOYSA-N
• XLogP: 24.17
• TPSA: 199.90 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2369.96
LogP ≤ 5	24.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile?

The IUPAC name of 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile (CID 162124128) is 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile.

What is the SMILES notation for 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile?

The canonical SMILES for 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile is CCCCc1cc[c-]c(-c2cc(-c3nc(C)nc(C)n3)ccn2)c1.CCCN(CCC)C(=O)c1cc[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)cn2)c1.CCCc1cc(C)c(-n2c(F)cnc2-c2nc(-c3c(C)cc(C)cc3C)c[n-]2)c(C)c1.CCCc1cc(C)cc(CCC)c1-n1cc(C#N)nc1-c1[c-]ccc(C=C(C)C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile?

The InChIKey is PRYROYOOCSEEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N4O.C27H30N3.C26H28FN4.C20H21N4.4Ir/c1-3-16-34(17-4-2)31(36)23-11-9-10-22(18-23)27-19-30(24(20-32)21-33-27)35-28-14-7-5-12-25(28)26-13-6-8-15-29(26)35;1-6-9-22-14-20(5)15-23(10-7-2)26(22)30-18-25(17-28)29-27(30)24-12-8-11-21(16-24)13-19(3)4;1-7-8-20-11-18(5)24(19(6)12-20)31-22(27)14-29-26(31)25-28-13-21(30-25)23-16(3)9-15(2)10-17(23)4;1-4-5-7-16-8-6-9-17(12-16)19-13-18(10-11-21-19)20-23-14(2)22-15(3)24-20;;;;/h5-9,11-15,18-19,21H,3-4,16-17H2,1-2H3;8,11,13-16,18H,6-7,9-10H2,1-5H3;9-14H,7-8H2,1-6H3;6,8,10-13H,4-5,7H2,1-3H3;;;;/q4*-1;;;;.

What are the key properties of 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile?

2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile has a molecular weight of 2369.96 g/mol, XLogP of 24.17, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-butylbenzene-6-id-1-yl)-4-pyridinyl]-4,6-dimethyl-1,3,5-triazine;3-(4-carbazol-9-yl-5-cyano-2-pyridinyl)-N,N-dipropylbenzene-4-ide-1-carboxamide;1-(2,6-dimethyl-4-propylphenyl)-5-fluoro-2-[4-(2,4,6-trimethylphenyl)imidazol-1-id-2-yl]imidazole;tetrakis(iridium);1-(4-methyl-2,6-dipropylphenyl)-2-[3-(2-methylprop-1-enyl)benzene-6-id-1-yl]imidazole-4-carbonitrile is sourced from PubChem (CID 162124128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).