hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate

C252H276Co4F36N48P6-2 — CID 139044269

IUPAChexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co].[Co].c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1
InChIInChI=1S/6C42H46N8.4Co.6F6P/c6*1-2-34(36-6-8-38(44-22-36)40-24-50(48-46-40)26-42-18-30-12-31(19-42)14-32(13-30)20-42)4-3-33(1)35-5-7-37(43-21-35)39-23-49(47-45-39)25-41-15-27-9-28(16-41)11-29(10-27)17-41;;;;;6*1-7(2,3,4,5)6/h6*1-8,21-24,27-32H,9-20,25-26H2;;;;;;;;;;/q;;;;;;;;2*+2;6*-1
InChIKeyQCVSWDOBGKSDAI-UHFFFAOYSA-N
MW5082.82 g/mol
LogP72.85
Rot. Bonds48

About hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate

hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate (PubChem CID 139044269) has the molecular formula C252H276Co4F36N48P6-2 and a molecular weight of 5082.82 g/mol. Its IUPAC name is hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate.

Molecular Properties

Compound Namehexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate
PubChem CID139044269
Molecular FormulaC252H276Co4F36N48P6-2
Molecular Weight5082.82 g/mol
Exact Mass5079.83
IUPAC Namehexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co].[Co].c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1
InChIInChI=1S/6C42H46N8.4Co.6F6P/c6*1-2-34(36-6-8-38(44-22-36)40-24-50(48-46-40)26-42-18-30-12-31(19-42)14-32(13-30)20-42)4-3-33(1)35-5-7-37(43-21-35)39-23-49(47-45-39)25-41-15-27-9-28(16-41)11-29(10-27)17-41;;;;;6*1-7(2,3,4,5)6/h6*1-8,21-24,27-32H,9-20,25-26H2;;;;;;;;;;/q;;;;;;;;2*+2;6*-1
InChIKeyQCVSWDOBGKSDAI-UHFFFAOYSA-N
XLogP72.85
TPSA523.20 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds48
Heavy Atoms346
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005082.82
LogP ≤ 572.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate with MolForge

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Related Compounds

Gross107 (Sudhakar)
CID 139174614
bis(1-[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]-N,N-bis[[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]methyl]methanamine);hexane;decakis(pyridine);bis(uranium(4+))
CID 168337712
Bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775477
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(4+))
CID 157201160
Bis(5-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris((2-dimethylphosphaniumylphenyl)-dimethylphosphanium);tris((2-methanidylphenyl)-diphenylphosphanium);tetrakis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium;tris(osmium(2+));bis(trimethyl-[4-[4-(2-methylpropyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-3-pyridinyl]phenyl]silane)
CID 157260272
2,6-Dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide
CID 157271142
Carbanide;bis(5-(2,6-dimethylphenyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine);bis(5-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);osmium(4+);bis(1-phenylphospholan-1-ium)
CID 157286080
Carbanide;2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;bis(2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-3-methyl-5-phenylpyridine);5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;bis(5-(3-methyl-5-phenyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);tris(osmium(4+))
CID 157316238
Hexakis(dimethyl(phenyl)phosphanium);bis(2-(4-isocyano-5-phenylpyrazol-2-id-3-yl)-4-methyl-5-phenylpyridine);bis(2-(4-isocyano-5-phenylpyrazol-2-id-3-yl)-4-(2-methylpropyl)-5-phenylpyridine);hexakis(methyl(diphenyl)phosphanium);bis(4-methyl-2-(4-methyl-3-phenylpyrazol-1-id-5-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(5-(4-methyl-5-phenyl-2-pyridinyl)-3-phenylpyrazol-1-ide-4-carbonitrile);bis(5-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]-3-phenylpyrazol-1-ide-4-carbonitrile);hexakis(osmium(2+))
CID 157344854
Bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-cyclopentyl-5-phenylpyridine);bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-phenylpyridine);bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-(2-methylpropyl)-5-phenylpyridine);carbanide;bis(4-cyclopentyl-2-(4,5-dimethylpyrazol-2-id-3-yl)-5-phenylpyridine);hexakis(dimethyl(phenyl)phosphanium);bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-phenylpyridine);bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-4-(2-methylpropyl)-5-phenylpyridine);tris(osmium(2+));tris(osmium(4+))
CID 157430190
Bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-5-(2,6-dimethylphenyl)pyridine);bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methyl-5-(2-methylphenyl)pyridine);bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-3-methyl-5-phenylpyridine);carbanide;bis(5-(2,6-dimethylphenyl)-2-(4,5-dimethylpyrazol-2-id-3-yl)pyridine);hexakis(dimethyl(phenyl)phosphanium);bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-4-methyl-5-(2-methylphenyl)pyridine);bis(2-(4,5-dimethylpyrazol-2-id-3-yl)-3-methyl-5-phenylpyridine);tris(osmium(2+));tris(osmium(4+))
CID 157468191
Tetrakis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);tris(iridium(3+));bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 157635159

Frequently Asked Questions

What is the IUPAC name of hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate?
The IUPAC name of hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate (CID 139044269) is hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate.
What is the SMILES notation for hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate?
The canonical SMILES for hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co].[Co].c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.c1cc(-c2ccc(-c3cn(CC45CC6CC(CC(C6)C4)C5)nn3)nc2)ccc1-c1ccc(-c2cn(CC34CC5CC(CC(C5)C3)C4)nn2)nc1.
What is the InChIKey of hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate?
The InChIKey is QCVSWDOBGKSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C42H46N8.4Co.6F6P/c6*1-2-34(36-6-8-38(44-22-36)40-24-50(48-46-40)26-42-18-30-12-31(19-42)14-32(13-30)20-42)4-3-33(1)35-5-7-37(43-21-35)39-23-49(47-45-39)25-41-15-27-9-28(16-41)11-29(10-27)17-41;;;;;6*1-7(2,3,4,5)6/h6*1-8,21-24,27-32H,9-20,25-26H2;;;;;;;;;;/q;;;;;;;;2*+2;6*-1.
What are the key properties of hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate?
hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate has a molecular weight of 5082.82 g/mol, XLogP of 72.85, 48 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2-[1-(1-adamantylmethyl)triazol-4-yl]-5-[4-[6-[1-(1-adamantylmethyl)triazol-4-yl]-3-pyridinyl]phenyl]pyridine);cobalt;bis(cobalt(2+));hexahexafluorophosphate is sourced from PubChem (CID 139044269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).