tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine

C142H95F10Ir8N23-12 — CID 157430958

About tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine

tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine (PubChem CID 157430958) has the molecular formula C142H95F10Ir8N23-12 and a molecular weight of 3851.20 g/mol. Its IUPAC name is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine.

Molecular Properties

• Compound Name: tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine
• PubChem CID: 157430958
• Molecular Formula: C142H95F10Ir8N23-12
• Molecular Weight: 3851.20 g/mol
• Exact Mass: 3855.51
• IUPAC Name: tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine
• SMILES: CN1C=NC(c2[c-]cc(C#N)cc2)[CH-]1.CN1C=NC(c2[c-]cc(C#N)cc2)[CH-]1.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.FC(F)(F)C1=NC(c2[c-]cccc2)N=N1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1cc(-c2ccccn2)[c-]cc1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)c2ccccc12.c1ccc(C2N=NN=N2)nc1
• InChI: InChI=1S/C24H19N2.C21H14N.C15H10N.C12H6FN2.3C11H6F2N.2C11H9N3.C9H5F3N3.C6H5N5.8Ir/c1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-3-9-16(10-4-1)20-15-22-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-2-6-13-11-14(9-8-12(13)5-1)15-7-3-4-10-16-15;1-14-12-8-9(5-6-10(12)13)11-4-2-3-7-15-11;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-14-7-11(13-8-14)10-4-2-9(6-12)3-5-10;10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;;;;;/h4-9,11-14H,1-3H3;1-11,13-15H;1-8,10-11H;2-4,6-8H;3*1-4,6-7H;2*2-4,7-8,11H,1H3;1-4,7H;1-4,6H;;;;;;;;/q7*-1;2*-2;-1
• InChIKey: GPDCFJRQRFUCNK-UHFFFAOYSA-N
• XLogP: 34.70
• TPSA: 277.19 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3851.20
LogP ≤ 5	34.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine?

The IUPAC name of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine (CID 157430958) is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine.

What is the SMILES notation for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine?

The canonical SMILES for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine is CN1C=NC(c2[c-]cc(C#N)cc2)[CH-]1.CN1C=NC(c2[c-]cc(C#N)cc2)[CH-]1.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.FC(F)(F)C1=NC(c2[c-]cccc2)N=N1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1cc(-c2ccccn2)[c-]cc1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)c2ccccc12.c1ccc(C2N=NN=N2)nc1.

What is the InChIKey of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine?

The InChIKey is GPDCFJRQRFUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2.C21H14N.C15H10N.C12H6FN2.3C11H6F2N.2C11H9N3.C9H5F3N3.C6H5N5.8Ir/c1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-3-9-16(10-4-1)20-15-22-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-2-6-13-11-14(9-8-12(13)5-1)15-7-3-4-10-16-15;1-14-12-8-9(5-6-10(12)13)11-4-2-3-7-15-11;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-14-7-11(13-8-14)10-4-2-9(6-12)3-5-10;10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;;;;;/h4-9,11-14H,1-3H3;1-11,13-15H;1-8,10-11H;2-4,6-8H;3*1-4,6-7H;2*2-4,7-8,11H,1H3;1-4,7H;1-4,6H;;;;;;;;/q7*-1;2*-2;-1;;;;;;;;;.

What are the key properties of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine?

tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine has a molecular weight of 3851.20 g/mol, XLogP of 34.70, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;octakis(iridium);bis(4-(1-methyl-4,5-dihydroimidazol-5-id-4-yl)benzene-5-ide-1-carbonitrile);2-(3H-naphthalen-3-id-2-yl)pyridine;4-phenyl-1-phenylisoquinoline;3-phenyl-5-(trifluoromethyl)-3H-1,2,4-triazole;2-(5H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 157430958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).