diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide

C43H23AlF12 — CID 23120600

IUPACdiphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide
SMILESFc1cc(F)c([Al-](c2c(F)cc(F)cc2F)(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.4C6H2F3.Al/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*7-4-1-5(8)3-6(9)2-4;/h1-15H;4*1-2H;/q+1;;;;;-1
InChIKeyHAXQOILEZZOUCB-UHFFFAOYSA-N
MW794.62 g/mol
LogP9.44
Rot. Bonds7

About diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide

diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide (PubChem CID 23120600) has the molecular formula C43H23AlF12 and a molecular weight of 794.62 g/mol. Its IUPAC name is diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide.

Molecular Properties

Compound Namediphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide
PubChem CID23120600
Molecular FormulaC43H23AlF12
Molecular Weight794.62 g/mol
Exact Mass794.14
IUPAC Namediphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide
SMILESFc1cc(F)c([Al-](c2c(F)cc(F)cc2F)(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.4C6H2F3.Al/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*7-4-1-5(8)3-6(9)2-4;/h1-15H;4*1-2H;/q+1;;;;;-1
InChIKeyHAXQOILEZZOUCB-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.62
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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;tetrakis(2,4,6-trifluorophenyl)alumanuide?
The IUPAC name of diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide (CID 23120600) is diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide.
What is the SMILES notation for diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide?
The canonical SMILES for diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide is Fc1cc(F)c([Al-](c2c(F)cc(F)cc2F)(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide?
The InChIKey is HAXQOILEZZOUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15.4C6H2F3.Al/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*7-4-1-5(8)3-6(9)2-4;/h1-15H;4*1-2H;/q+1;;;;;-1.
What are the key properties of diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide?
diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide has a molecular weight of 794.62 g/mol, XLogP of 9.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethylbenzene;tetrakis(2,4,6-trifluorophenyl)alumanuide is sourced from PubChem (CID 23120600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).