2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine

C77H52F12Ir5N22O2-7 — CID 159176761

About 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine

2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine (PubChem CID 159176761) has the molecular formula C77H52F12Ir5N22O2-7 and a molecular weight of 2506.48 g/mol. Its IUPAC name is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine.

Molecular Properties

• Compound Name: 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine
• PubChem CID: 159176761
• Molecular Formula: C77H52F12Ir5N22O2-7
• Molecular Weight: 2506.48 g/mol
• Exact Mass: 2509.26
• IUPAC Name: 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine
• SMILES: C.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.N/N=N/N=[Ir]/F.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/C13H8F3N4.4C11H6F2N.C7H5N4.C6H4N5.C6H5NO2.CH4.FH.5Ir.H2N4/c14-13(15,16)11-8-10(18-19-11)12-17-6-7-20(12)9-4-2-1-3-5-9;4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-4-8-6(3-1)7-5-9-11-10-7;1-2-4-7-5(3-1)6-8-10-11-9-6;8-6(9)5-3-1-2-4-7-5;;;;;;;;1-3-4-2/h1-8H;4*1-4,6-7H;1-5H;1-4H;1-4H,(H,8,9);1H4;1H;;;;;;(H2,1,4)/q7*-1;;;;;;;;+1;/p-1
• InChIKey: RBQMVFLBWXNFIK-UHFFFAOYSA-M
• XLogP: 16.39
• TPSA: 328.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2506.48
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?

The IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine (CID 159176761) is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine.

What is the SMILES notation for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?

The canonical SMILES for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine is C.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.N/N=N/N=[Ir]/F.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1.

What is the InChIKey of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?

The InChIKey is RBQMVFLBWXNFIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8F3N4.4C11H6F2N.C7H5N4.C6H4N5.C6H5NO2.CH4.FH.5Ir.H2N4/c14-13(15,16)11-8-10(18-19-11)12-17-6-7-20(12)9-4-2-1-3-5-9;4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-4-8-6(3-1)7-5-9-11-10-7;1-2-4-7-5(3-1)6-8-10-11-9-6;8-6(9)5-3-1-2-4-7-5;;;;;;;;1-3-4-2/h1-8H;4*1-4,6-7H;1-5H;1-4H;1-4H,(H,8,9);1H4;1H;;;;;;(H2,1,4)/q7*-1;;;;;;;;+1;/p-1.

What are the key properties of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?

2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine has a molecular weight of 2506.48 g/mol, XLogP of 16.39, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);fluoro-[(E)-hydrazinylidenehydrazinylidene]iridium;tetrakis(iridium);methane;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine is sourced from PubChem (CID 159176761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).