diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium

C78H25B2F40IS — CID 140508798

IUPACdiphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium
SMILESFc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([I+]c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C24BF20.C18H15S.C12H10I/c2*26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h;;1-15H;1-10H/q2*-1;2*+1
InChIKeyCSVRHKUITMKQER-UHFFFAOYSA-N
MW1902.57 g/mol
LogP16.29
Rot. Bonds13

About diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium

diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium (PubChem CID 140508798) has the molecular formula C78H25B2F40IS and a molecular weight of 1902.57 g/mol. Its IUPAC name is diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium.

Molecular Properties

Compound Namediphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium
PubChem CID140508798
Molecular FormulaC78H25B2F40IS
Molecular Weight1902.57 g/mol
Exact Mass1902.03
IUPAC Namediphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium
SMILESFc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([I+]c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C24BF20.C18H15S.C12H10I/c2*26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h;;1-15H;1-10H/q2*-1;2*+1
InChIKeyCSVRHKUITMKQER-UHFFFAOYSA-N
XLogP16.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001902.57
LogP ≤ 516.29
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

diphenyliodanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide
CID 139817890
sodium;diphenyliodanium;bis(tris(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 157128982
sodium;diphenyliodanium;bis((4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 158993376
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(4-phenylsulfanylphenyl)sulfanium
CID 159347520
lithium;diphenyliodanium;bis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide)
CID 158087081
carbanide;diphenyliodanium;ethane;triphenylsulfanium
CID 162244190
bis(4-methylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22035133
iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22222054
[5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 87435777
[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-phenyliodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139829954
silver;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;toluene
CID 22335858
sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide
CID 139835857

Frequently Asked Questions

What is the IUPAC name of diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium?
The IUPAC name of diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium (CID 140508798) is diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium.
What is the SMILES notation for diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium?
The canonical SMILES for diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium is Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([I+]c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium?
The InChIKey is CSVRHKUITMKQER-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24BF20.C18H15S.C12H10I/c2*26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h;;1-15H;1-10H/q2*-1;2*+1.
What are the key properties of diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium?
diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium has a molecular weight of 1902.57 g/mol, XLogP of 16.29, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium is sourced from PubChem (CID 140508798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).