acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide

C129H96F20Ir6N18O12S-12 — CID 158716953

IUPACacetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
SMILESCC(=O)[N-]C(=O)c1ccccn1.CC(=O)[N-]Cc1ccccn1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.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.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C13H7F5N2O.C13H12N2O.4C12H8F2NO.2C12H8F2N.C8H7F3N2O.C8H8N2O2.C8H10N2O.C7H9N2O2S.6Ir/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;4*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;1-6(11)10-8(12)7-4-2-3-5-9-7;1-7(11)10-6-8-4-2-3-5-9-8;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);4*2,4-7H,1H3;2*2,4-7H,1H3;1-4H,5H2,(H,13,14);2-5H,1H3,(H,10,11,12);2-5H,6H2,1H3,(H,10,11);2-5H,6H2,1H3;;;;;;/q;;6*-1;;;;-1;;;;;;/p-5
InChIKeyUDJNWFVSFZXXQG-UHFFFAOYSA-I
MW3655.63 g/mol
LogP29.49
Rot. Bonds24

About acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide

acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide (PubChem CID 158716953) has the molecular formula C129H96F20Ir6N18O12S-12 and a molecular weight of 3655.63 g/mol. Its IUPAC name is acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide.

Molecular Properties

Compound Nameacetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
PubChem CID158716953
Molecular FormulaC129H96F20Ir6N18O12S-12
Molecular Weight3655.63 g/mol
Exact Mass3658.47
IUPAC Nameacetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
SMILESCC(=O)[N-]C(=O)c1ccccn1.CC(=O)[N-]Cc1ccccn1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.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.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C13H7F5N2O.C13H12N2O.4C12H8F2NO.2C12H8F2N.C8H7F3N2O.C8H8N2O2.C8H10N2O.C7H9N2O2S.6Ir/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;4*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;1-6(11)10-8(12)7-4-2-3-5-9-7;1-7(11)10-6-8-4-2-3-5-9-8;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);4*2,4-7H,1H3;2*2,4-7H,1H3;1-4H,5H2,(H,13,14);2-5H,1H3,(H,10,11,12);2-5H,6H2,1H3,(H,10,11);2-5H,6H2,1H3;;;;;;/q;;6*-1;;;;-1;;;;;;/p-5
InChIKeyUDJNWFVSFZXXQG-UHFFFAOYSA-I
XLogP29.49
TPSA412.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003655.63
LogP ≤ 529.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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'}

Analyze acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide with MolForge

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Related Compounds

acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158056798
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158928174
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 159086325
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
Acetyl(pyridine-2-carbonyl)azanide;acetyl(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
CID 160127554
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

Frequently Asked Questions

What is the IUPAC name of acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
The IUPAC name of acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide (CID 158716953) is acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide.
What is the SMILES notation for acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
The canonical SMILES for acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide is CC(=O)[N-]C(=O)c1ccccn1.CC(=O)[N-]Cc1ccccn1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.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.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
The InChIKey is UDJNWFVSFZXXQG-UHFFFAOYSA-I. The full InChI is InChI=1S/C13H7F5N2O.C13H12N2O.4C12H8F2NO.2C12H8F2N.C8H7F3N2O.C8H8N2O2.C8H10N2O.C7H9N2O2S.6Ir/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;4*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;1-6(11)10-8(12)7-4-2-3-5-9-7;1-7(11)10-6-8-4-2-3-5-9-8;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);4*2,4-7H,1H3;2*2,4-7H,1H3;1-4H,5H2,(H,13,14);2-5H,1H3,(H,10,11,12);2-5H,6H2,1H3,(H,10,11);2-5H,6H2,1H3;;;;;;/q;;6*-1;;;;-1;;;;;;/p-5.
What are the key properties of acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide has a molecular weight of 3655.63 g/mol, XLogP of 29.49, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;benzoyl(pyridin-2-ylmethyl)azanide;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);hexakis(iridium);methylsulfonyl(pyridin-2-ylmethyl)azanide;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide is sourced from PubChem (CID 158716953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).