dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)

C120B5F100Li2-3 — CID 173034604

About dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)

dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) (PubChem CID 173034604) has the molecular formula C120B5F100Li2-3 and a molecular weight of 3409.06 g/mol. Its IUPAC name is dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide).

Molecular Properties

• Compound Name: dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
• PubChem CID: 173034604
• Molecular Formula: C120B5F100Li2-3
• Molecular Weight: 3409.06 g/mol
• Exact Mass: 3408.92
• IUPAC Name: dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
• SMILES: 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.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.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.[Li+].[Li+]
• InChI: InChI=1S/5C24BF20.2Li/c5*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;;/q5*-1;2*+1
• InChIKey: WPGCSKPNCPNGAZ-UHFFFAOYSA-N
• XLogP: 23.24
• TPSA: 0.00 Ų
• Rotatable Bonds: 20
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3409.06
LogP ≤ 5	23.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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'}

Frequently Asked Questions

What is the IUPAC name of dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

The IUPAC name of dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) (CID 173034604) is dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide).

What is the SMILES notation for dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

The canonical SMILES for dilithium;pentakis(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.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.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.[Li+].[Li+].

What is the InChIKey of dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

The InChIKey is WPGCSKPNCPNGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C24BF20.2Li/c5*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;;/q5*-1;2*+1.

What are the key properties of dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) has a molecular weight of 3409.06 g/mol, XLogP of 23.24, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) is sourced from PubChem (CID 173034604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).