tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium

C30H39F21O6Tb+6 — CID 50918398

IUPACtris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium
SMILES[H]/[O+]=C(/C/C(=[O+]\[H])C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C/C(=[O+]\[H])C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C/C(=[O+]\[H])C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C.[Tb]
InChIInChI=1S/3C10H11F7O2.Tb/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4H2,1-3H3;/p+6
InChIKeyIPIVRYZOEFEGNJ-UHFFFAOYSA-T
MW1053.52 g/mol
LogP10.04
Rot. Bonds12

About tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium

tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium (PubChem CID 50918398) has the molecular formula C30H39F21O6Tb+6 and a molecular weight of 1053.52 g/mol. Its IUPAC name is tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium.

Molecular Properties

Compound Nametris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium
PubChem CID50918398
Molecular FormulaC30H39F21O6Tb+6
Molecular Weight1053.52 g/mol
Exact Mass1053.16
IUPAC Nametris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium
SMILES[H]/[O+]=C(/C/C(=[O+]\[H])C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C/C(=[O+]\[H])C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C/C(=[O+]\[H])C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C.[Tb]
InChIInChI=1S/3C10H11F7O2.Tb/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4H2,1-3H3;/p+6
InChIKeyIPIVRYZOEFEGNJ-UHFFFAOYSA-T
XLogP10.04
TPSA128.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.52
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium?
The IUPAC name of tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium (CID 50918398) is tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium.
What is the SMILES notation for tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium?
The canonical SMILES for tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium is [H]/[O+]=C(/C/C(=[O+]\[H])C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C/C(=[O+]\[H])C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C/C(=[O+]\[H])C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C.[Tb].
What is the InChIKey of tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium?
The InChIKey is IPIVRYZOEFEGNJ-UHFFFAOYSA-T. The full InChI is InChI=1S/3C10H11F7O2.Tb/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4H2,1-3H3;/p+6.
What are the key properties of tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium?
tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium has a molecular weight of 1053.52 g/mol, XLogP of 10.04, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium is sourced from PubChem (CID 50918398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).