3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole

C67H67ClF2Ir4N8O6-4 — CID 160938696

About 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole

3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole (PubChem CID 160938696) has the molecular formula C67H67ClF2Ir4N8O6-4 and a molecular weight of 1922.64 g/mol. Its IUPAC name is 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole.

Molecular Properties

• Compound Name: 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole
• PubChem CID: 160938696
• Molecular Formula: C67H67ClF2Ir4N8O6-4
• Molecular Weight: 1922.64 g/mol
• Exact Mass: 1924.34
• IUPAC Name: 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Clc1ccc(-c2[c-]cccc2)nn1.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-n2ncc3ccccc32)cc1.Fc1c[c-]c(-n2ncc3ccccc32)cc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C13H8FN2.C11H20O2.C10H6ClN2.C10H9N2.2C5H8O2.4Ir/c2*14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15-16;1-10(2,3)8(12)7-9(13)11(4,5)6;11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-4(6)3-5(2)7;;;;/h2*1-7,9H;7,12H,1-6H3;1-4,6-7H;2-5,7-8H,1H3;2*3,6H,1-2H3;;;;/q2*-1;;2*-1
• InChIKey: MRQDGIYKPRJWES-UHFFFAOYSA-N
• XLogP: 15.57
• TPSA: 191.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1922.64
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole?

The IUPAC name of 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole (CID 160938696) is 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole.

What is the SMILES notation for 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole?

The canonical SMILES for 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Clc1ccc(-c2[c-]cccc2)nn1.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-n2ncc3ccccc32)cc1.Fc1c[c-]c(-n2ncc3ccccc32)cc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole?

The InChIKey is MRQDGIYKPRJWES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H8FN2.C11H20O2.C10H6ClN2.C10H9N2.2C5H8O2.4Ir/c2*14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15-16;1-10(2,3)8(12)7-9(13)11(4,5)6;11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-4(6)3-5(2)7;;;;/h2*1-7,9H;7,12H,1-6H3;1-4,6-7H;2-5,7-8H,1H3;2*3,6H,1-2H3;;;;/q2*-1;;2*-1;;;;;;.

What are the key properties of 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole?

3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole has a molecular weight of 1922.64 g/mol, XLogP of 15.57, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-phenylpyridazine;bis(1-(4-fluorobenzene-6-id-1-yl)indazole);bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);1-methyl-2-phenylimidazole is sourced from PubChem (CID 160938696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).