5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid

C142H125F2Ir3N14O2-5 — CID 158120386

About 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid

5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid (PubChem CID 158120386) has the molecular formula C142H125F2Ir3N14O2-5 and a molecular weight of 2674.30 g/mol. Its IUPAC name is 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid
• PubChem CID: 158120386
• Molecular Formula: C142H125F2Ir3N14O2-5
• Molecular Weight: 2674.30 g/mol
• Exact Mass: 2674.90
• IUPAC Name: 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid
• SMILES: CCCc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C)cc4)cc(-c4ccc(C)cc4)c3)c2)n(C)n1.CCCc1nc(-c2[c-]cccc2)n(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)n1.CCCc1nc(-c2[c-]cccc2)n(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)n1.CCCc1nc(-c2[c-]cccc2)nn1-c1cc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C32H30N3.3C31H28N3.C11H6F2N.C6H5NO2.3Ir/c1-5-7-31-33-32(35(4)34-31)27-9-6-8-26(18-27)30-20-28(24-14-10-22(2)11-15-24)19-29(21-30)25-16-12-23(3)13-17-25;1-4-8-30-32-31(26-9-6-5-7-10-26)33-34(30)29-20-27(24-15-11-22(2)12-16-24)19-28(21-29)25-17-13-23(3)14-18-25;2*1-4-8-30-32-31(26-9-6-5-7-10-26)34(33-30)29-20-27(24-15-11-22(2)12-16-24)19-28(21-29)25-17-13-23(3)14-18-25;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;;;/h6,8,10-21H,5,7H2,1-4H3;3*5-7,9,11-21H,4,8H2,1-3H3;1-4,6-7H;1-4H,(H,8,9);;;/q5*-1
• InChIKey: GTPSPLILFNQOKM-UHFFFAOYSA-N
• XLogP: 34.37
• TPSA: 185.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2674.30
LogP ≤ 5	34.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid?

The IUPAC name of 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid (CID 158120386) is 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid.

What is the SMILES notation for 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid?

The canonical SMILES for 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid is CCCc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C)cc4)cc(-c4ccc(C)cc4)c3)c2)n(C)n1.CCCc1nc(-c2[c-]cccc2)n(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)n1.CCCc1nc(-c2[c-]cccc2)n(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)n1.CCCc1nc(-c2[c-]cccc2)nn1-c1cc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].

What is the InChIKey of 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid?

The InChIKey is GTPSPLILFNQOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N3.3C31H28N3.C11H6F2N.C6H5NO2.3Ir/c1-5-7-31-33-32(35(4)34-31)27-9-6-8-26(18-27)30-20-28(24-14-10-22(2)11-15-24)19-29(21-30)25-16-12-23(3)13-17-25;1-4-8-30-32-31(26-9-6-5-7-10-26)33-34(30)29-20-27(24-15-11-22(2)12-16-24)19-28(21-29)25-17-13-23(3)14-18-25;2*1-4-8-30-32-31(26-9-6-5-7-10-26)34(33-30)29-20-27(24-15-11-22(2)12-16-24)19-28(21-29)25-17-13-23(3)14-18-25;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;;;/h6,8,10-21H,5,7H2,1-4H3;3*5-7,9,11-21H,4,8H2,1-3H3;1-4,6-7H;1-4H,(H,8,9);;;/q5*-1;;;;.

What are the key properties of 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid?

5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid has a molecular weight of 2674.30 g/mol, XLogP of 34.37, 26 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid is sourced from PubChem (CID 158120386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).