2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one

C118H81DyF5Ir2N21O5Pt2-2 — CID 158112943

About 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one

2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one (PubChem CID 158112943) has the molecular formula C118H81DyF5Ir2N21O5Pt2-2 and a molecular weight of 2905.17 g/mol. Its IUPAC name is 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one.

Molecular Properties

• Compound Name: 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
• PubChem CID: 158112943
• Molecular Formula: C118H81DyF5Ir2N21O5Pt2-2
• Molecular Weight: 2905.17 g/mol
• Exact Mass: 2906.45
• IUPAC Name: 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
• SMILES: Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(O)c1ccccn1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Dy].[Ir+3].[Ir].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cncc1-c1ccccn1.[c-]1c(-c2ccccn2)cncc1-c1ccccn1.c1cc(-c2ccn[n-]2)nc(-c2ccn[n-]2)c1.c1cnc2c(c1)ccc1cccnc12.c1nc[n-]n1
• InChI: InChI=1S/C18H14O.C17H13N2.2C15H10N3.C12H5F2N2.C12H8N2.C11H7N5.C10H7F3O2.C6H5NO2.C2H2N3.Dy.2Ir.2Pt/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;2*1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-8(10-4-6-12-15-10)14-9(3-1)11-5-7-13-16-11;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;8-6(9)5-3-1-2-4-7-5;1-3-2-5-4-1;;;;;/h1-13,19H;2-11H,1H3;2*1-8,10-11H;2-4,6-7H;1-8H;1-7H;1-6,14H;1-4H,(H,8,9);1-2H;;;;;/q;4*-1;;-2;;;-1;;;+3;;+2
• InChIKey: OVEJWUZLTRWMNC-UHFFFAOYSA-N
• XLogP: 24.86
• TPSA: 360.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2905.17
LogP ≤ 5	24.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?

The IUPAC name of 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one (CID 158112943) is 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one.

What is the SMILES notation for 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?

The canonical SMILES for 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(O)c1ccccn1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Dy].[Ir+3].[Ir].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cncc1-c1ccccn1.[c-]1c(-c2ccccn2)cncc1-c1ccccn1.c1cc(-c2ccn[n-]2)nc(-c2ccn[n-]2)c1.c1cnc2c(c1)ccc1cccnc12.c1nc[n-]n1.

What is the InChIKey of 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?

The InChIKey is OVEJWUZLTRWMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O.C17H13N2.2C15H10N3.C12H5F2N2.C12H8N2.C11H7N5.C10H7F3O2.C6H5NO2.C2H2N3.Dy.2Ir.2Pt/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;2*1-3-7-17-14(5-1)12-9-13(11-16-10-12)15-6-2-4-8-18-15;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-8(10-4-6-12-15-10)14-9(3-1)11-5-7-13-16-11;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;8-6(9)5-3-1-2-4-7-5;1-3-2-5-4-1;;;;;/h1-13,19H;2-11H,1H3;2*1-8,10-11H;2-4,6-7H;1-8H;1-7H;1-6,14H;1-4H,(H,8,9);1-2H;;;;;/q;4*-1;;-2;;;-1;;;+3;;+2.

What are the key properties of 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?

2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one has a molecular weight of 2905.17 g/mol, XLogP of 24.86, 14 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diaza-1-azanidacyclopenta-2,4-diene;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2,6-diphenylphenol;2,6-di(pyrazol-2-id-3-yl)pyridine;bis(3,5-dipyridin-2-yl-4H-pyridin-4-ide);dysprosium;iridium;iridium(3+);2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum;platinum(2+);pyridine-2-carboxylic acid;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is sourced from PubChem (CID 158112943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).