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

C43H24B4F20O12 — CID 173177693

IUPACbenzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid)
SMILESOB(O)Oc1c(F)c(F)c(F)c(F)c1F.OB(O)Oc1c(F)c(F)c(F)c(F)c1F.OB(O)Oc1c(F)c(F)c(F)c(F)c1F.OB(O)Oc1c(F)c(F)c(F)c(F)c1F.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.4C6H2BF5O3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10/h1-15,19H;4*13-14H
InChIKeyNKIKTLJKUHRMJE-UHFFFAOYSA-N
MW1155.86 g/mol
LogP7.79
Rot. Bonds11

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

benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid) (PubChem CID 173177693) has the molecular formula C43H24B4F20O12 and a molecular weight of 1155.86 g/mol. Its IUPAC name is benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid).

Molecular Properties

Compound Namebenzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid)
PubChem CID173177693
Molecular FormulaC43H24B4F20O12
Molecular Weight1155.86 g/mol
Exact Mass1156.13
IUPAC Namebenzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid)
SMILESOB(O)Oc1c(F)c(F)c(F)c(F)c1F.OB(O)Oc1c(F)c(F)c(F)c(F)c1F.OB(O)Oc1c(F)c(F)c(F)c(F)c1F.OB(O)Oc1c(F)c(F)c(F)c(F)c1F.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.4C6H2BF5O3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10/h1-15,19H;4*13-14H
InChIKeyNKIKTLJKUHRMJE-UHFFFAOYSA-N
XLogP7.79
TPSA198.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001155.86
LogP ≤ 57.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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 benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid)?
The IUPAC name of benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid) (CID 173177693) is benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid).
What is the SMILES notation for benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid)?
The canonical SMILES for benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid) is OB(O)Oc1c(F)c(F)c(F)c(F)c1F.OB(O)Oc1c(F)c(F)c(F)c(F)c1F.OB(O)Oc1c(F)c(F)c(F)c(F)c1F.OB(O)Oc1c(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-pentafluorophenoxy)boronic acid)?
The InChIKey is NKIKTLJKUHRMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.4C6H2BF5O3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10/h1-15,19H;4*13-14H.
What are the key properties of benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid)?
benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid) has a molecular weight of 1155.86 g/mol, XLogP of 7.79, 11 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid) is sourced from PubChem (CID 173177693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).