carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide

C147H118F3Ir3N10O4OsP2-4 — CID 160701351

About carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide

carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide (PubChem CID 160701351) has the molecular formula C147H118F3Ir3N10O4OsP2-4 and a molecular weight of 2974.45 g/mol. Its IUPAC name is carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide.

Molecular Properties

• Compound Name: carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide
• PubChem CID: 160701351
• Molecular Formula: C147H118F3Ir3N10O4OsP2-4
• Molecular Weight: 2974.45 g/mol
• Exact Mass: 2976.73
• IUPAC Name: carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide
• SMILES: CC(O)CC(C)O.Cc1c[c-]c(-c2ccccn2)c(F)c1.Cc1cnc2c3[c-]cccc3c3ccccc3c2n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[C-]#N.[CH3-].[Ir+3].[Ir].[Ir].[Os].[c-]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C25H16N.2C18H15P.C17H11N2.C12H9FN.C11H6F2N.3C11H8N.C6H5NO2.C5H12O2.CN.CH3.3Ir.Os/c1-3-8-18(9-4-1)20-12-7-13-23-22(20)14-15-24-21(16-17-26-25(23)24)19-10-5-2-6-11-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-10-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(16)19-11;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;1-2;;;;;/h1-12,14-17H;2*1-15H;2-7,9-10H,1H3;2-5,7-8H,1H3;1-4,6-7H;3*1-6,8-9H;1-4H,(H,8,9);4-7H,3H2,1-2H3;;1H3;;;;/q-1;;;6*-1;;;2*-1;;;+3;/p+2
• InChIKey: IKJXEXPXKXFJJY-UHFFFAOYSA-P
• XLogP: 31.85
• TPSA: 217.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2974.45
LogP ≤ 5	31.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide?

The IUPAC name of carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide (CID 160701351) is carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide.

What is the SMILES notation for carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide?

The canonical SMILES for carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide is CC(O)CC(C)O.Cc1c[c-]c(-c2ccccn2)c(F)c1.Cc1cnc2c3[c-]cccc3c3ccccc3c2n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[C-]#N.[CH3-].[Ir+3].[Ir].[Ir].[Os].[c-]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide?

The InChIKey is IKJXEXPXKXFJJY-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H16N.2C18H15P.C17H11N2.C12H9FN.C11H6F2N.3C11H8N.C6H5NO2.C5H12O2.CN.CH3.3Ir.Os/c1-3-8-18(9-4-1)20-12-7-13-23-22(20)14-15-24-21(16-17-26-25(23)24)19-10-5-2-6-11-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-10-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(16)19-11;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;1-2;;;;;/h1-12,14-17H;2*1-15H;2-7,9-10H,1H3;2-5,7-8H,1H3;1-4,6-7H;3*1-6,8-9H;1-4H,(H,8,9);4-7H,3H2,1-2H3;;1H3;;;;/q-1;;;6*-1;;;2*-1;;;+3;/p+2.

What are the key properties of carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide?

carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide has a molecular weight of 2974.45 g/mol, XLogP of 31.85, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,7-diphenyl-10H-benzo[h]quinolin-10-ide;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;bis(iridium);iridium(3+);3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide;osmium;pentane-2,4-diol;tris(2-phenylpyridine);pyridine-2-carboxylic acid;bis(triphenylphosphanium);cyanide is sourced from PubChem (CID 160701351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).