diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide

C51H27AlF24 — CID 23120592

IUPACdiphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide
SMILESFC(F)(F)c1cc(C(F)(F)F)cc([Al-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.4C8H3F6.Al/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;/h1-15H;4*2-4H;/q+1;;;;;-1
InChIKeyHKZZNXOBQYYZSX-UHFFFAOYSA-N
MW1122.71 g/mol
LogP15.92
Rot. Bonds7

About diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide

diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide (PubChem CID 23120592) has the molecular formula C51H27AlF24 and a molecular weight of 1122.71 g/mol. Its IUPAC name is diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide.

Molecular Properties

Compound Namediphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide
PubChem CID23120592
Molecular FormulaC51H27AlF24
Molecular Weight1122.71 g/mol
Exact Mass1122.15
IUPAC Namediphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide
SMILESFC(F)(F)c1cc(C(F)(F)F)cc([Al-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.4C8H3F6.Al/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;/h1-15H;4*2-4H;/q+1;;;;;-1
InChIKeyHKZZNXOBQYYZSX-UHFFFAOYSA-N
XLogP15.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.71
LogP ≤ 515.92
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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Related Compounds

1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
CID 175242058
1-phenylethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 18783224
diphenylmethylbenzene tetrafluoroborate
CID 2723955
diphenylmethylbenzene;tetrafluorostannane;fluoride
CID 2723963
1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2S)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-1,2-diphenylethyl]thiourea
CID 163335507
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
1-anilino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
CID 2731554
ethane;bis(trifluoromethylbenzene)
CID 142912000

Frequently Asked Questions

What is the IUPAC name of diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide?
The IUPAC name of diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide (CID 23120592) is diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide.
What is the SMILES notation for diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide?
The canonical SMILES for diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide is FC(F)(F)c1cc(C(F)(F)F)cc([Al-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide?
The InChIKey is HKZZNXOBQYYZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15.4C8H3F6.Al/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;/h1-15H;4*2-4H;/q+1;;;;;-1.
What are the key properties of diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide?
diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide has a molecular weight of 1122.71 g/mol, XLogP of 15.92, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide is sourced from PubChem (CID 23120592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).