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

C42H21BF16Si — CID 87245412

IUPACtetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium
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.c1ccc([SiH2+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H4BF16.C18H17Si/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-4H;1-15H,19H2/q-1;+1
InChIKeyQKBCMOHXTPGIBA-UHFFFAOYSA-N
MW868.50 g/mol
LogP6.96
Rot. Bonds7

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

tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium (PubChem CID 87245412) has the molecular formula C42H21BF16Si and a molecular weight of 868.50 g/mol. Its IUPAC name is tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium.

Molecular Properties

Compound Nametetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium
PubChem CID87245412
Molecular FormulaC42H21BF16Si
Molecular Weight868.50 g/mol
Exact Mass868.13
IUPAC Nametetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium
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.c1ccc([SiH2+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H4BF16.C18H17Si/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-4H;1-15H,19H2/q-1;+1
InChIKeyQKBCMOHXTPGIBA-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.50
LogP ≤ 56.96
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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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium?
The IUPAC name of tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium (CID 87245412) is tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium.
What is the SMILES notation for tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium?
The canonical SMILES for tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium 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.c1ccc([SiH2+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium?
The InChIKey is QKBCMOHXTPGIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H4BF16.C18H17Si/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-4H;1-15H,19H2/q-1;+1.
What are the key properties of tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium?
tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium has a molecular weight of 868.50 g/mol, XLogP of 6.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium is sourced from PubChem (CID 87245412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).