tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium

C54H39BF20Sn — CID 10909361

IUPACtetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium
SMILESCc1cc(C)c(C)c([Sn+](c2c(C)c(C)cc(C)c2C)c2c(C)c(C)cc(C)c2C)c1C.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
InChIInChI=1S/C24BF20.3C10H13.Sn/c26-5-1(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;3*1-7-5-9(3)10(4)6-8(7)2;/h;3*5H,1-4H3;/q-1;;;;+1
InChIKeyWTHCQRLTDMOZQY-UHFFFAOYSA-N
MW1197.39 g/mol
LogP11.75
Rot. Bonds7

About tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium

tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium (PubChem CID 10909361) has the molecular formula C54H39BF20Sn and a molecular weight of 1197.39 g/mol. Its IUPAC name is tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium.

Molecular Properties

Compound Nametetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium
PubChem CID10909361
Molecular FormulaC54H39BF20Sn
Molecular Weight1197.39 g/mol
Exact Mass1198.18
IUPAC Nametetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium
SMILESCc1cc(C)c(C)c([Sn+](c2c(C)c(C)cc(C)c2C)c2c(C)c(C)cc(C)c2C)c1C.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
InChIInChI=1S/C24BF20.3C10H13.Sn/c26-5-1(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;3*1-7-5-9(3)10(4)6-8(7)2;/h;3*5H,1-4H3;/q-1;;;;+1
InChIKeyWTHCQRLTDMOZQY-UHFFFAOYSA-N
XLogP11.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.39
LogP ≤ 511.75
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'}

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Related Compounds

bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide
CID 162205470
dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 173034604
ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 140502353
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
silver;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;toluene
CID 22335858
iron(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 175772039
palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate
CID 175989138
bis(4-methylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22035133
tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
CID 22637409

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium?
The IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium (CID 10909361) is tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium.
What is the SMILES notation for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium?
The canonical SMILES for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium is Cc1cc(C)c(C)c([Sn+](c2c(C)c(C)cc(C)c2C)c2c(C)c(C)cc(C)c2C)c1C.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.
What is the InChIKey of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium?
The InChIKey is WTHCQRLTDMOZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.3C10H13.Sn/c26-5-1(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;3*1-7-5-9(3)10(4)6-8(7)2;/h;3*5H,1-4H3;/q-1;;;;+1.
What are the key properties of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium?
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium has a molecular weight of 1197.39 g/mol, XLogP of 11.75, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(2,3,5,6-tetramethylphenyl)stannanylium is sourced from PubChem (CID 10909361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).