sodium triphenyl(2-phenylethenyl)boranuide

C26H22BNa — CID 139607406

IUPACsodium triphenyl(2-phenylethenyl)boranuide
SMILESC(=C[B-](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C26H22B.Na/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-22H;/q-1;+1
InChIKeyDBOAEGOQIHBMNR-UHFFFAOYSA-N
MW368.26 g/mol
LogP1.41
Rot. Bonds5

About sodium triphenyl(2-phenylethenyl)boranuide

sodium triphenyl(2-phenylethenyl)boranuide (PubChem CID 139607406) has the molecular formula C26H22BNa and a molecular weight of 368.26 g/mol. Its IUPAC name is sodium triphenyl(2-phenylethenyl)boranuide.

Molecular Properties

Compound Namesodium triphenyl(2-phenylethenyl)boranuide
PubChem CID139607406
Molecular FormulaC26H22BNa
Molecular Weight368.26 g/mol
Exact Mass368.17
IUPAC Namesodium triphenyl(2-phenylethenyl)boranuide
SMILESC(=C[B-](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C26H22B.Na/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-22H;/q-1;+1
InChIKeyDBOAEGOQIHBMNR-UHFFFAOYSA-N
XLogP1.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 51.41
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

lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide
CID 131719333
bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide
CID 135048705
disodium;hydride;(E)-stilbene
CID 173089328
potassium trifluoro-[(Z)-2-phenylethenyl]boranuide
CID 23671305
CID 70567885
CID 70567885
CID 70569152
CID 70569152
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
hydride;rubidium(1+);stilbene
CID 173437843
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
2-[(E)-2-phenylethenyl]azulene
CID 12674002
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143

Frequently Asked Questions

What is the IUPAC name of sodium triphenyl(2-phenylethenyl)boranuide?
The IUPAC name of sodium triphenyl(2-phenylethenyl)boranuide (CID 139607406) is sodium triphenyl(2-phenylethenyl)boranuide.
What is the SMILES notation for sodium triphenyl(2-phenylethenyl)boranuide?
The canonical SMILES for sodium triphenyl(2-phenylethenyl)boranuide is C(=C[B-](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Na+].
What is the InChIKey of sodium triphenyl(2-phenylethenyl)boranuide?
The InChIKey is DBOAEGOQIHBMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22B.Na/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-22H;/q-1;+1.
What are the key properties of sodium triphenyl(2-phenylethenyl)boranuide?
sodium triphenyl(2-phenylethenyl)boranuide has a molecular weight of 368.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium triphenyl(2-phenylethenyl)boranuide is sourced from PubChem (CID 139607406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).