2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)

C72H60F12IrN11O2Pt3- — CID 158523404

About 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide) (PubChem CID 158523404) has the molecular formula C72H60F12IrN11O2Pt3- and a molecular weight of 2116.77 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide).

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)
• PubChem CID: 158523404
• Molecular Formula: C72H60F12IrN11O2Pt3-
• Molecular Weight: 2116.77 g/mol
• Exact Mass: 2116.33
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)
• SMILES: CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cc(F)c2c(c1)C[n+]1cccn1-2.[Ir].[Pt+2].[Pt+2].[Pt].[c-]1ccccc1-n1cccn1.c1cn[n-]c1.c1cn[n-]c1
• InChI: InChI=1S/C14H8F6N.2C11H6F2N.C11H20O2.C10H7F2N2.C9H7N2.2C3H3N2.Ir.3Pt/c1-8-2-3-21-12(4-8)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-10(2,3)8(12)7-9(13)11(4,5)6;11-8-4-7-6-13-2-1-3-14(13)10(7)9(12)5-8;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2-4-5-3-1;;;;/h2-5,7H,1H3;2*1-4,6-7H;7,12H,1-6H3;1-5H,6H2;1-5,7-8H;2*1-3H;;;;/q3*-1;;+1;3*-1;;;2*+2
• InChIKey: KULXKLNUOPFGCX-UHFFFAOYSA-N
• XLogP: 16.78
• TPSA: 156.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2116.77
LogP ≤ 5	16.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide) (CID 158523404) is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide).

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide) is CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cc(F)c2c(c1)C[n+]1cccn1-2.[Ir].[Pt+2].[Pt+2].[Pt].[c-]1ccccc1-n1cccn1.c1cn[n-]c1.c1cn[n-]c1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)?

The InChIKey is KULXKLNUOPFGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N.2C11H6F2N.C11H20O2.C10H7F2N2.C9H7N2.2C3H3N2.Ir.3Pt/c1-8-2-3-21-12(4-8)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-10(2,3)8(12)7-9(13)11(4,5)6;11-8-4-7-6-13-2-1-3-14(13)10(7)9(12)5-8;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2-4-5-3-1;;;;/h2-5,7H,1H3;2*1-4,6-7H;7,12H,1-6H3;1-5H,6H2;1-5,7-8H;2*1-3H;;;;/q3*-1;;+1;3*-1;;;2*+2.

What are the key properties of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)?

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide) has a molecular weight of 2116.77 g/mol, XLogP of 16.78, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide) is sourced from PubChem (CID 158523404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).