pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide

C29H9BF16O — CID 139908120

IUPACpyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide
SMILESFc1cc([B-](c2cc(F)c(F)c(F)c2F)(c2cc(F)c(F)c(F)c2F)c2cc(F)c(F)c(F)c2F)c(F)c(F)c1F.c1cc[o+]cc1
InChIInChI=1S/C24H4BF16.C5H5O/c26-9-1-5(13(30)21(38)17(9)34)25(6-2-10(27)18(35)22(39)14(6)31,7-3-11(28)19(36)23(40)15(7)32)8-4-12(29)20(37)24(41)16(8)33;1-2-4-6-5-3-1/h1-4H;1-5H/q-1;+1
InChIKeyKVTBLUOVNSBWFE-UHFFFAOYSA-N
MW688.17 g/mol
LogP6.85
Rot. Bonds4

About pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide

pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide (PubChem CID 139908120) has the molecular formula C29H9BF16O and a molecular weight of 688.17 g/mol. Its IUPAC name is pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide.

Molecular Properties

Compound Namepyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide
PubChem CID139908120
Molecular FormulaC29H9BF16O
Molecular Weight688.17 g/mol
Exact Mass688.05
IUPAC Namepyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide
SMILESFc1cc([B-](c2cc(F)c(F)c(F)c2F)(c2cc(F)c(F)c(F)c2F)c2cc(F)c(F)c(F)c2F)c(F)c(F)c1F.c1cc[o+]cc1
InChIInChI=1S/C24H4BF16.C5H5O/c26-9-1-5(13(30)21(38)17(9)34)25(6-2-10(27)18(35)22(39)14(6)31,7-3-11(28)19(36)23(40)15(7)32)8-4-12(29)20(37)24(41)16(8)33;1-2-4-6-5-3-1/h1-4H;1-5H/q-1;+1
InChIKeyKVTBLUOVNSBWFE-UHFFFAOYSA-N
XLogP6.85
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.17
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium
CID 87245412
tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride
CID 158708650
hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide
CID 139794522
CID 172801487
CID 172801487
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
boric acid;1,2,3,4,5-pentafluorobenzene;silver
CID 159886582
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide
CID 11146777
1,2,3,4-tetrafluoro-5-[(2,3,4,5-tetrafluorophenyl)disulfanyl]benzene
CID 87179367
tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
CID 22637409
hydron;tetrakis(2,3-difluorophenyl)boranuide
CID 140553745
boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene
CID 161264040

Frequently Asked Questions

What is the IUPAC name of pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide?
The IUPAC name of pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide (CID 139908120) is pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide.
What is the SMILES notation for pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide?
The canonical SMILES for pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide is Fc1cc([B-](c2cc(F)c(F)c(F)c2F)(c2cc(F)c(F)c(F)c2F)c2cc(F)c(F)c(F)c2F)c(F)c(F)c1F.c1cc[o+]cc1.
What is the InChIKey of pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide?
The InChIKey is KVTBLUOVNSBWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H4BF16.C5H5O/c26-9-1-5(13(30)21(38)17(9)34)25(6-2-10(27)18(35)22(39)14(6)31,7-3-11(28)19(36)23(40)15(7)32)8-4-12(29)20(37)24(41)16(8)33;1-2-4-6-5-3-1/h1-4H;1-5H/q-1;+1.
What are the key properties of pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide?
pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide has a molecular weight of 688.17 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide is sourced from PubChem (CID 139908120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).