benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide)

C103H77F20Ir5N15O12S2-10 — CID 159215628

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

benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide) (PubChem CID 159215628) has the molecular formula C103H77F20Ir5N15O12S2-10 and a molecular weight of 3122.02 g/mol. Its IUPAC name is benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide)
• PubChem CID: 159215628
• Molecular Formula: C103H77F20Ir5N15O12S2-10
• Molecular Weight: 3122.02 g/mol
• Exact Mass: 3124.32
• IUPAC Name: benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide)
• SMILES: COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.O=C([N-]Cc1ccccn1)C(F)(F)F.O=C([N-]Cc1ccccn1)C(F)(F)F.O=C([N-]Cc1ccccn1)c1ccccc1.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C13H12N2O.3C12H8F2NO.2C12H9FNO.2C8H7F3N2O.2C7H6F3N2O2S.5Ir/c16-13(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*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;2*9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;2*8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6;;;;;/h1-9H,10H2,(H,15,16);3*2,4-7H,1H3;2*2,4-8H,1H3;2*1-4H,5H2,(H,13,14);2*1-4H,5H2;;;;;/q;5*-1;;;2*-1;;;;;/p-3
• InChIKey: VVCALHBNWMYSTD-UHFFFAOYSA-K
• XLogP: 24.38
• TPSA: 365.04 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3122.02
LogP ≤ 5	24.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide) (CID 159215628) is benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide) is COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.O=C([N-]Cc1ccccn1)C(F)(F)F.O=C([N-]Cc1ccccn1)C(F)(F)F.O=C([N-]Cc1ccccn1)c1ccccc1.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide)?

The InChIKey is VVCALHBNWMYSTD-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H12N2O.3C12H8F2NO.2C12H9FNO.2C8H7F3N2O.2C7H6F3N2O2S.5Ir/c16-13(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*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;2*9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;2*8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6;;;;;/h1-9H,10H2,(H,15,16);3*2,4-7H,1H3;2*2,4-8H,1H3;2*1-4H,5H2,(H,13,14);2*1-4H,5H2;;;;;/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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide)?

benzoyl(pyridin-2-ylmethyl)azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide) has a molecular weight of 3122.02 g/mol, XLogP of 24.38, 23 rotatable bonds, 0 hydrogen bond donors, and 22 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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide) is sourced from PubChem (CID 159215628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).