bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide

C26H12BF10- — CID 135048705

IUPACbis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide
SMILESFc1c(F)c(F)c([B-](/C=C/c2ccccc2)(c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C26H12BF10/c28-17-15(18(29)22(33)25(36)21(17)32)27(14-9-5-2-6-10-14,12-11-13-7-3-1-4-8-13)16-19(30)23(34)26(37)24(35)20(16)31/h1-12H/q-1/b12-11+
InChIKeyWVHDREUXCSMGCB-VAWYXSNFSA-N
MW525.17 g/mol
LogP5.80
Rot. Bonds5

About bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide

bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide (PubChem CID 135048705) has the molecular formula C26H12BF10- and a molecular weight of 525.17 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide
PubChem CID135048705
Molecular FormulaC26H12BF10-
Molecular Weight525.17 g/mol
Exact Mass525.09
IUPAC Namebis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide
SMILESFc1c(F)c(F)c([B-](/C=C/c2ccccc2)(c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C26H12BF10/c28-17-15(18(29)22(33)25(36)21(17)32)27(14-9-5-2-6-10-14,12-11-13-7-3-1-4-8-13)16-19(30)23(34)26(37)24(35)20(16)31/h1-12H/q-1/b12-11+
InChIKeyWVHDREUXCSMGCB-VAWYXSNFSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.17
LogP ≤ 55.80
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

sodium triphenyl(2-phenylethenyl)boranuide
CID 139607406
lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide
CID 131719333
methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide
CID 101181574
sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide
CID 139835857
potassium trifluoro-[(Z)-2-phenylethenyl]boranuide
CID 23671305
tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide
CID 11498397
1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene
CID 138963154
CID 70567885
CID 70567885
CID 70569152
CID 70569152
tris(2,3,4,5,6-pentafluorophenyl)-(N-phenylanilino)boranuide
CID 102419221
(2,3,4,5,6-pentafluorophenyl) 3-phenylprop-2-enoate
CID 72966102
(2,3,4,5,6-pentafluorophenyl) (E)-3-phenylprop-2-enoate
CID 11449832

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide?
The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide (CID 135048705) is bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide.
What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide?
The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide is Fc1c(F)c(F)c([B-](/C=C/c2ccccc2)(c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide?
The InChIKey is WVHDREUXCSMGCB-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H12BF10/c28-17-15(18(29)22(33)25(36)21(17)32)27(14-9-5-2-6-10-14,12-11-13-7-3-1-4-8-13)16-19(30)23(34)26(37)24(35)20(16)31/h1-12H/q-1/b12-11+.
What are the key properties of bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide?
bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide has a molecular weight of 525.17 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide is sourced from PubChem (CID 135048705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).