lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide

C26H19BF3Li — CID 131719333

IUPAClithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide
SMILESFc1ccc([B-](C=Cc2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[Li+]
InChIInChI=1S/C26H19BF3.Li/c28-24-12-6-21(7-13-24)27(22-8-14-25(29)15-9-22,23-10-16-26(30)17-11-23)19-18-20-4-2-1-3-5-20;/h1-19H;/q-1;+1
InChIKeyNGPRKLPZBJTHIT-UHFFFAOYSA-N
MW406.19 g/mol
LogP1.83
Rot. Bonds5

About lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide

lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide (PubChem CID 131719333) has the molecular formula C26H19BF3Li and a molecular weight of 406.19 g/mol. Its IUPAC name is lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide.

Molecular Properties

Compound Namelithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide
PubChem CID131719333
Molecular FormulaC26H19BF3Li
Molecular Weight406.19 g/mol
Exact Mass406.17
IUPAC Namelithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide
SMILESFc1ccc([B-](C=Cc2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[Li+]
InChIInChI=1S/C26H19BF3.Li/c28-24-12-6-21(7-13-24)27(22-8-14-25(29)15-9-22,23-10-16-26(30)17-11-23)19-18-20-4-2-1-3-5-20;/h1-19H;/q-1;+1
InChIKeyNGPRKLPZBJTHIT-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

sodium triphenyl(2-phenylethenyl)boranuide
CID 139607406
bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide
CID 135048705
potassium trifluoro-[(Z)-2-phenylethenyl]boranuide
CID 23671305
1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
CID 12032378
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
lithium;1-fluoro-4-phenylbenzene;hydride
CID 173443965
methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide
CID 101181574
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
1-[(Z)-2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 71609102
1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 78131907
1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
CID 177383855

Frequently Asked Questions

What is the IUPAC name of lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide?
The IUPAC name of lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide (CID 131719333) is lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide.
What is the SMILES notation for lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide?
The canonical SMILES for lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide is Fc1ccc([B-](C=Cc2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[Li+].
What is the InChIKey of lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide?
The InChIKey is NGPRKLPZBJTHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BF3.Li/c28-24-12-6-21(7-13-24)27(22-8-14-25(29)15-9-22,23-10-16-26(30)17-11-23)19-18-20-4-2-1-3-5-20;/h1-19H;/q-1;+1.
What are the key properties of lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide?
lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide has a molecular weight of 406.19 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide is sourced from PubChem (CID 131719333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).