diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum

C55H21F30O6Ta+ — CID 11982569

IUPACdiphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum
SMILESOc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.[Ta].c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.6C6HF5O.Ta/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6*7-1-2(8)4(10)6(12)5(11)3(1)9;/h1-15H;6*12H;/q+1;;;;;;;
InChIKeyMLPDVWIDNLFEHT-UHFFFAOYSA-N
MW1528.65 g/mol
LogP17.23
Rot. Bonds3

About diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum

diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum (PubChem CID 11982569) has the molecular formula C55H21F30O6Ta+ and a molecular weight of 1528.65 g/mol. Its IUPAC name is diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum.

Molecular Properties

Compound Namediphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum
PubChem CID11982569
Molecular FormulaC55H21F30O6Ta+
Molecular Weight1528.65 g/mol
Exact Mass1528.03
IUPAC Namediphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum
SMILESOc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.[Ta].c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.6C6HF5O.Ta/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6*7-1-2(8)4(10)6(12)5(11)3(1)9;/h1-15H;6*12H;/q+1;;;;;;;
InChIKeyMLPDVWIDNLFEHT-UHFFFAOYSA-N
XLogP17.23
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001528.65
LogP ≤ 517.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum?
The IUPAC name of diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum (CID 11982569) is diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum.
What is the SMILES notation for diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum?
The canonical SMILES for diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum is Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.[Ta].c1ccc([C+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum?
The InChIKey is MLPDVWIDNLFEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15.6C6HF5O.Ta/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6*7-1-2(8)4(10)6(12)5(11)3(1)9;/h1-15H;6*12H;/q+1;;;;;;;.
What are the key properties of diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum?
diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum has a molecular weight of 1528.65 g/mol, XLogP of 17.23, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethylbenzene;hexakis(2,3,4,5,6-pentafluorophenol);tantalum is sourced from PubChem (CID 11982569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).