ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)

C48B2F40Ru — CID 140502353

IUPACruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
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.[Ru+2]
InChIInChI=1S/2C24BF20.Ru/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;/q2*-1;+2
InChIKeyFYQHPORIXMGCED-UHFFFAOYSA-N
MW1459.14 g/mol
LogP11.69
Rot. Bonds8

About ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)

ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) (PubChem CID 140502353) has the molecular formula C48B2F40Ru and a molecular weight of 1459.14 g/mol. Its IUPAC name is ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide).

Molecular Properties

Compound Nameruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
PubChem CID140502353
Molecular FormulaC48B2F40Ru
Molecular Weight1459.14 g/mol
Exact Mass1459.86
IUPAC Nameruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
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.[Ru+2]
InChIInChI=1S/2C24BF20.Ru/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;/q2*-1;+2
InChIKeyFYQHPORIXMGCED-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001459.14
LogP ≤ 511.69
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'}

Analyze ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) with MolForge

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

Launch Full Analysis

Related Compounds

dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 173034604
Lithiumtetrakis(pentafluorophenyl)boric acid
CID 86750431
magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
CID 175877855
ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87610045
bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87467756
tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide
CID 11146777
palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate
CID 175989138
fluoromethoxy(dimethyl)sulfanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139728016
sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 23669690
lithium;1,2-dimethoxyethane;hydride;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 173209656
iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22222054
potassium;1,2-dimethoxyethane;hydride;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 173209583

Frequently Asked Questions

What is the IUPAC name of ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?
The IUPAC name of ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) (CID 140502353) is ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide).
What is the SMILES notation for ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?
The canonical SMILES for ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) 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.[Ru+2].
What is the InChIKey of ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?
The InChIKey is FYQHPORIXMGCED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24BF20.Ru/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;/q2*-1;+2.
What are the key properties of ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?
ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) has a molecular weight of 1459.14 g/mol, XLogP of 11.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) is sourced from PubChem (CID 140502353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).