diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide

C55H15AlF28 — CID 11029644

IUPACdiphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2[Al-](F)(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.3C12F9.Al.FH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17;;/h1-15H;;;;;1H/q+1;;;;;/p-1
InChIKeyIDKRRUWXZVJGSP-UHFFFAOYSA-M
MW1234.65 g/mol
LogP16.09
Rot. Bonds9

About diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide

diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide (PubChem CID 11029644) has the molecular formula C55H15AlF28 and a molecular weight of 1234.65 g/mol. Its IUPAC name is diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide.

Molecular Properties

Compound Namediphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide
PubChem CID11029644
Molecular FormulaC55H15AlF28
Molecular Weight1234.65 g/mol
Exact Mass1234.05
IUPAC Namediphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2[Al-](F)(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.3C12F9.Al.FH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17;;/h1-15H;;;;;1H/q+1;;;;;/p-1
InChIKeyIDKRRUWXZVJGSP-UHFFFAOYSA-M
XLogP16.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001234.65
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide?
The IUPAC name of diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide (CID 11029644) is diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide.
What is the SMILES notation for diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide?
The canonical SMILES for diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide is Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2[Al-](F)(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide?
The InChIKey is IDKRRUWXZVJGSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15.3C12F9.Al.FH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17;;/h1-15H;;;;;1H/q+1;;;;;/p-1.
What are the key properties of diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide?
diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide has a molecular weight of 1234.65 g/mol, XLogP of 16.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethylbenzene;fluoro-tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]alumanuide is sourced from PubChem (CID 11029644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).