hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide

C43H19BF16 — CID 139794522

IUPAChydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide
SMILESFc1cc([B-](c2cc(F)c(F)c(F)c2F)(c2cc(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c(F)c1F.[H+]
InChIInChI=1S/C43H18BF16/c45-25-16-22(30(48)38(56)33(25)51)44(23-17-26(46)34(52)39(57)31(23)49,24-18-27(47)35(53)40(58)32(24)50)29-28(36(54)41(59)42(60)37(29)55)43(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H/q-1/p+1
InChIKeyDVJUOVQVHQUJQV-UHFFFAOYSA-O
MW850.41 g/mol
LogP9.78
Rot. Bonds8

About hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide

hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide (PubChem CID 139794522) has the molecular formula C43H19BF16 and a molecular weight of 850.41 g/mol. Its IUPAC name is hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide.

Molecular Properties

Compound Namehydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide
PubChem CID139794522
Molecular FormulaC43H19BF16
Molecular Weight850.41 g/mol
Exact Mass850.13
IUPAC Namehydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide
SMILESFc1cc([B-](c2cc(F)c(F)c(F)c2F)(c2cc(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c(F)c1F.[H+]
InChIInChI=1S/C43H18BF16/c45-25-16-22(30(48)38(56)33(25)51)44(23-17-26(46)34(52)39(57)31(23)49,24-18-27(47)35(53)40(58)32(24)50)29-28(36(54)41(59)42(60)37(29)55)43(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H/q-1/p+1
InChIKeyDVJUOVQVHQUJQV-UHFFFAOYSA-O
XLogP9.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.41
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride
CID 158708650
tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium
CID 87245412
pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide
CID 139908120
tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide
CID 11146777
sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide
CID 139835857
bis(dimethyl(phenyl)azanium);hydron;tris(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139997769
iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22222054
tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
CID 22637409
silver;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;toluene
CID 22335858
1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene
CID 175079511
hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium
CID 158213447
1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene
CID 176748618

Frequently Asked Questions

What is the IUPAC name of hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide?
The IUPAC name of hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide (CID 139794522) is hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide.
What is the SMILES notation for hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide?
The canonical SMILES for hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide is Fc1cc([B-](c2cc(F)c(F)c(F)c2F)(c2cc(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c(F)c1F.[H+].
What is the InChIKey of hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide?
The InChIKey is DVJUOVQVHQUJQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C43H18BF16/c45-25-16-22(30(48)38(56)33(25)51)44(23-17-26(46)34(52)39(57)31(23)49,24-18-27(47)35(53)40(58)32(24)50)29-28(36(54)41(59)42(60)37(29)55)43(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H/q-1/p+1.
What are the key properties of hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide?
hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide has a molecular weight of 850.41 g/mol, XLogP of 9.78, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide is sourced from PubChem (CID 139794522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).