carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+))

C108H105F9N18Os3 — CID 159870718

IUPACcarbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+))
SMILESCC(C)Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)[n-]n1.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)[n-]n1.Cc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)[n-]n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4].[Os+4]
InChIInChI=1S/C19H17F3N3.C19H20N3.2C16H11F3N3.2C16H14N3.6CH3.3Os/c1-12(2)8-14-9-16(17-10-18(25-24-17)19(20,21)22)23-11-15(14)13-6-4-3-5-7-13;1-13(2)9-16-11-18(19-10-14(3)21-22-19)20-12-17(16)15-7-5-4-6-8-15;2*1-10-7-13(14-8-15(22-21-14)16(17,18)19)20-9-12(10)11-5-3-2-4-6-11;2*1-11-8-15(16-9-12(2)18-19-16)17-10-14(11)13-6-4-3-5-7-13;;;;;;;;;/h3-7,9-12H,8H2,1-2H3;4-8,10-13H,9H2,1-3H3;2*2-9H,1H3;2*3-10H,1-2H3;6*1H3;;;/q12*-1;3*+4
InChIKeyDBKYDUOKQPPSSN-UHFFFAOYSA-N
MW2396.83 g/mol
LogP26.91
Rot. Bonds16

About carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+))

carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+)) (PubChem CID 159870718) has the molecular formula C108H105F9N18Os3 and a molecular weight of 2396.83 g/mol. Its IUPAC name is carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+)).

Molecular Properties

Compound Namecarbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+))
PubChem CID159870718
Molecular FormulaC108H105F9N18Os3
Molecular Weight2396.83 g/mol
Exact Mass2400.75
IUPAC Namecarbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+))
SMILESCC(C)Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)[n-]n1.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)[n-]n1.Cc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)[n-]n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4].[Os+4]
InChIInChI=1S/C19H17F3N3.C19H20N3.2C16H11F3N3.2C16H14N3.6CH3.3Os/c1-12(2)8-14-9-16(17-10-18(25-24-17)19(20,21)22)23-11-15(14)13-6-4-3-5-7-13;1-13(2)9-16-11-18(19-10-14(3)21-22-19)20-12-17(16)15-7-5-4-6-8-15;2*1-10-7-13(14-8-15(22-21-14)16(17,18)19)20-9-12(10)11-5-3-2-4-6-11;2*1-11-8-15(16-9-12(2)18-19-16)17-10-14(11)13-6-4-3-5-7-13;;;;;;;;;/h3-7,9-12H,8H2,1-2H3;4-8,10-13H,9H2,1-3H3;2*2-9H,1H3;2*3-10H,1-2H3;6*1H3;;;/q12*-1;3*+4
InChIKeyDBKYDUOKQPPSSN-UHFFFAOYSA-N
XLogP26.91
TPSA239.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002396.83
LogP ≤ 526.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+))?
The IUPAC name of carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+)) (CID 159870718) is carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+)).
What is the SMILES notation for carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+))?
The canonical SMILES for carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+)) is CC(C)Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)[n-]n1.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)[n-]n1.Cc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)[n-]n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4].[Os+4].
What is the InChIKey of carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+))?
The InChIKey is DBKYDUOKQPPSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N3.C19H20N3.2C16H11F3N3.2C16H14N3.6CH3.3Os/c1-12(2)8-14-9-16(17-10-18(25-24-17)19(20,21)22)23-11-15(14)13-6-4-3-5-7-13;1-13(2)9-16-11-18(19-10-14(3)21-22-19)20-12-17(16)15-7-5-4-6-8-15;2*1-10-7-13(14-8-15(22-21-14)16(17,18)19)20-9-12(10)11-5-3-2-4-6-11;2*1-11-8-15(16-9-12(2)18-19-16)17-10-14(11)13-6-4-3-5-7-13;;;;;;;;;/h3-7,9-12H,8H2,1-2H3;4-8,10-13H,9H2,1-3H3;2*2-9H,1H3;2*3-10H,1-2H3;6*1H3;;;/q12*-1;3*+4.
What are the key properties of carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+))?
carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+)) has a molecular weight of 2396.83 g/mol, XLogP of 26.91, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(4-methyl-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine);bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)-5-phenylpyridine;4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(osmium(4+)) is sourced from PubChem (CID 159870718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).