carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+))

C114H99F9N24Os3 — CID 158358559

IUPACcarbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+))
SMILESCc1cccc(C)c1-c1ccc(-c2[n-]nc(C(F)(F)F)c2C#N)nc1.Cc1cccc(C)c1-c1ccc(-c2[n-]nc(C(F)(F)F)c2C#N)nc1.Cc1ccccc1-c1cnc(-c2[n-]nc(C(F)(F)F)c2C#N)cc1C.[C-]#[N+]c1c(C)n[n-]c1-c1cc(C)c(-c2ccccc2C)cn1.[C-]#[N+]c1c(C)n[n-]c1-c1ccc(-c2c(C)cccc2C)cn1.[C-]#[N+]c1c(C)n[n-]c1-c1ccc(-c2c(C)cccc2C)cn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4].[Os+4]
InChIInChI=1S/3C18H12F3N4.3C18H15N4.6CH3.3Os/c2*1-10-4-3-5-11(2)15(10)12-6-7-14(23-9-12)16-13(8-22)17(25-24-16)18(19,20)21;1-10-5-3-4-6-12(10)14-9-23-15(7-11(14)2)16-13(8-22)17(25-24-16)18(19,20)21;2*1-11-6-5-7-12(2)16(11)14-8-9-15(20-10-14)18-17(19-4)13(3)21-22-18;1-11-7-5-6-8-14(11)15-10-20-16(9-12(15)2)18-17(19-4)13(3)21-22-18;;;;;;;;;/h3*3-7,9H,1-2H3;3*5-10H,1-3H3;6*1H3;;;/q12*-1;3*+4
InChIKeyKFPTWYKYLTWQMK-UHFFFAOYSA-N
MW2546.89 g/mol
LogP28.25
Rot. Bonds12

About carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+))

carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+)) (PubChem CID 158358559) has the molecular formula C114H99F9N24Os3 and a molecular weight of 2546.89 g/mol. Its IUPAC name is carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+)).

Molecular Properties

Compound Namecarbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+))
PubChem CID158358559
Molecular FormulaC114H99F9N24Os3
Molecular Weight2546.89 g/mol
Exact Mass2550.72
IUPAC Namecarbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+))
SMILESCc1cccc(C)c1-c1ccc(-c2[n-]nc(C(F)(F)F)c2C#N)nc1.Cc1cccc(C)c1-c1ccc(-c2[n-]nc(C(F)(F)F)c2C#N)nc1.Cc1ccccc1-c1cnc(-c2[n-]nc(C(F)(F)F)c2C#N)cc1C.[C-]#[N+]c1c(C)n[n-]c1-c1cc(C)c(-c2ccccc2C)cn1.[C-]#[N+]c1c(C)n[n-]c1-c1ccc(-c2c(C)cccc2C)cn1.[C-]#[N+]c1c(C)n[n-]c1-c1ccc(-c2c(C)cccc2C)cn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4].[Os+4]
InChIInChI=1S/3C18H12F3N4.3C18H15N4.6CH3.3Os/c2*1-10-4-3-5-11(2)15(10)12-6-7-14(23-9-12)16-13(8-22)17(25-24-16)18(19,20)21;1-10-5-3-4-6-12(10)14-9-23-15(7-11(14)2)16-13(8-22)17(25-24-16)18(19,20)21;2*1-11-6-5-7-12(2)16(11)14-8-9-15(20-10-14)18-17(19-4)13(3)21-22-18;1-11-7-5-6-8-14(11)15-10-20-16(9-12(15)2)18-17(19-4)13(3)21-22-18;;;;;;;;;/h3*3-7,9H,1-2H3;3*5-10H,1-3H3;6*1H3;;;/q12*-1;3*+4
InChIKeyKFPTWYKYLTWQMK-UHFFFAOYSA-N
XLogP28.25
TPSA323.73 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002546.89
LogP ≤ 528.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+))?
The IUPAC name of carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+)) (CID 158358559) is carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+)).
What is the SMILES notation for carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+))?
The canonical SMILES for carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+)) is Cc1cccc(C)c1-c1ccc(-c2[n-]nc(C(F)(F)F)c2C#N)nc1.Cc1cccc(C)c1-c1ccc(-c2[n-]nc(C(F)(F)F)c2C#N)nc1.Cc1ccccc1-c1cnc(-c2[n-]nc(C(F)(F)F)c2C#N)cc1C.[C-]#[N+]c1c(C)n[n-]c1-c1cc(C)c(-c2ccccc2C)cn1.[C-]#[N+]c1c(C)n[n-]c1-c1ccc(-c2c(C)cccc2C)cn1.[C-]#[N+]c1c(C)n[n-]c1-c1ccc(-c2c(C)cccc2C)cn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4].[Os+4].
What is the InChIKey of carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+))?
The InChIKey is KFPTWYKYLTWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H12F3N4.3C18H15N4.6CH3.3Os/c2*1-10-4-3-5-11(2)15(10)12-6-7-14(23-9-12)16-13(8-22)17(25-24-16)18(19,20)21;1-10-5-3-4-6-12(10)14-9-23-15(7-11(14)2)16-13(8-22)17(25-24-16)18(19,20)21;2*1-11-6-5-7-12(2)16(11)14-8-9-15(20-10-14)18-17(19-4)13(3)21-22-18;1-11-7-5-6-8-14(11)15-10-20-16(9-12(15)2)18-17(19-4)13(3)21-22-18;;;;;;;;;/h3*3-7,9H,1-2H3;3*5-10H,1-3H3;6*1H3;;;/q12*-1;3*+4.
What are the key properties of carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+))?
carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+)) has a molecular weight of 2546.89 g/mol, XLogP of 28.25, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(5-(2,6-dimethylphenyl)-2-(4-isocyano-3-methylpyrazol-1-id-5-yl)pyridine);bis(5-[5-(2,6-dimethylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-(2-methylphenyl)pyridine;5-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+)) is sourced from PubChem (CID 158358559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).