benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide

C108H78F21Ir5N15O10S2-10 — CID 162249544

About benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide

benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide (PubChem CID 162249544) has the molecular formula C108H78F21Ir5N15O10S2-10 and a molecular weight of 3170.08 g/mol. Its IUPAC name is benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

• Compound Name: benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide
• PubChem CID: 162249544
• Molecular Formula: C108H78F21Ir5N15O10S2-10
• Molecular Weight: 3170.08 g/mol
• Exact Mass: 3172.34
• IUPAC Name: benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide
• SMILES: COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.CS(=O)(=O)[N-]Cc1ccccn1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.O=C([N-]Cc1ccccn1)C(F)(F)F.O=C([N-]Cc1ccccn1)c1c(F)c(F)c(F)c(F)c1F.O=C([N-]Cc1ccccn1)c1ccccc1.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C13H7F5N2O.C13H12N2O.3C12H8F2NO.2C12H8F2N.C8H7F3N2O.C7H6F3N2O2S.C7H9N2O2S.5Ir/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20-5-6-3-1-2-4-19-6;16-13(11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12;3*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6;1-12(10,11)9-6-7-4-2-3-5-8-7;;;;;/h1-4H,5H2,(H,20,21);1-9H,10H2,(H,15,16);3*2,4-7H,1H3;2*2,4-7H,1H3;1-4H,5H2,(H,13,14);1-4H,5H2;2-5H,6H2,1H3;;;;;/q;;5*-1;;2*-1;;;;;/p-3
• InChIKey: IGBDKZXAABGOAS-UHFFFAOYSA-K
• XLogP: 25.82
• TPSA: 346.58 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3170.08
LogP ≤ 5	25.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide?

The IUPAC name of benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide (CID 162249544) is benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide.

What is the SMILES notation for benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide?

The canonical SMILES for benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide is COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.CS(=O)(=O)[N-]Cc1ccccn1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.O=C([N-]Cc1ccccn1)C(F)(F)F.O=C([N-]Cc1ccccn1)c1c(F)c(F)c(F)c(F)c1F.O=C([N-]Cc1ccccn1)c1ccccc1.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide?

The InChIKey is IGBDKZXAABGOAS-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H7F5N2O.C13H12N2O.3C12H8F2NO.2C12H8F2N.C8H7F3N2O.C7H6F3N2O2S.C7H9N2O2S.5Ir/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20-5-6-3-1-2-4-19-6;16-13(11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12;3*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6;1-12(10,11)9-6-7-4-2-3-5-8-7;;;;;/h1-4H,5H2,(H,20,21);1-9H,10H2,(H,15,16);3*2,4-7H,1H3;2*2,4-7H,1H3;1-4H,5H2,(H,13,14);1-4H,5H2;2-5H,6H2,1H3;;;;;/q;;5*-1;;2*-1;;;;;/p-3.

What are the key properties of benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide?

benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide has a molecular weight of 3170.08 g/mol, XLogP of 25.82, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 162249544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).