benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid)

C43H24B4F20O8 — CID 173004631

IUPACbenzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid)
SMILESOB(O)c1c(F)c(F)c(F)c(F)c1F.OB(O)c1c(F)c(F)c(F)c(F)c1F.OB(O)c1c(F)c(F)c(F)c(F)c1F.OB(O)c1c(F)c(F)c(F)c(F)c1F.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.4C6H2BF5O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-15,19H;4*13-14H
InChIKeyFBVBSZCDQSXQCK-UHFFFAOYSA-N
MW1091.86 g/mol
LogP5.11
Rot. Bonds7

About benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid)

benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid) (PubChem CID 173004631) has the molecular formula C43H24B4F20O8 and a molecular weight of 1091.86 g/mol. Its IUPAC name is benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid).

Molecular Properties

Compound Namebenzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid)
PubChem CID173004631
Molecular FormulaC43H24B4F20O8
Molecular Weight1091.86 g/mol
Exact Mass1092.15
IUPAC Namebenzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid)
SMILESOB(O)c1c(F)c(F)c(F)c(F)c1F.OB(O)c1c(F)c(F)c(F)c(F)c1F.OB(O)c1c(F)c(F)c(F)c(F)c1F.OB(O)c1c(F)c(F)c(F)c(F)c1F.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.4C6H2BF5O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-15,19H;4*13-14H
InChIKeyFBVBSZCDQSXQCK-UHFFFAOYSA-N
XLogP5.11
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.86
LogP ≤ 55.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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'}

Analyze benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid)?
The IUPAC name of benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid) (CID 173004631) is benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid).
What is the SMILES notation for benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid)?
The canonical SMILES for benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid) is OB(O)c1c(F)c(F)c(F)c(F)c1F.OB(O)c1c(F)c(F)c(F)c(F)c1F.OB(O)c1c(F)c(F)c(F)c(F)c1F.OB(O)c1c(F)c(F)c(F)c(F)c1F.c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid)?
The InChIKey is FBVBSZCDQSXQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.4C6H2BF5O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-15,19H;4*13-14H.
What are the key properties of benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid)?
benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid) has a molecular weight of 1091.86 g/mol, XLogP of 5.11, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenyl)boronic acid) is sourced from PubChem (CID 173004631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).