benzylidene-[2-(2-phenylethenyl)phenyl]borane

C21H17B — CID 69091271

IUPACbenzylidene-[2-(2-phenylethenyl)phenyl]borane
SMILESB(=C/c1ccccc1)\c1ccccc1C=Cc1ccccc1
InChIInChI=1S/C21H17B/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(20)22-17-19-11-5-2-6-12-19/h1-17H
InChIKeyUYWDQMAPEXQSSC-UHFFFAOYSA-N
MW280.18 g/mol
LogP4.04
Rot. Bonds4

About benzylidene-[2-(2-phenylethenyl)phenyl]borane

benzylidene-[2-(2-phenylethenyl)phenyl]borane (PubChem CID 69091271) has the molecular formula C21H17B and a molecular weight of 280.18 g/mol. Its IUPAC name is benzylidene-[2-(2-phenylethenyl)phenyl]borane.

Molecular Properties

Compound Namebenzylidene-[2-(2-phenylethenyl)phenyl]borane
PubChem CID69091271
Molecular FormulaC21H17B
Molecular Weight280.18 g/mol
Exact Mass280.14
IUPAC Namebenzylidene-[2-(2-phenylethenyl)phenyl]borane
SMILESB(=C/c1ccccc1)\c1ccccc1C=Cc1ccccc1
InChIInChI=1S/C21H17B/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(20)22-17-19-11-5-2-6-12-19/h1-17H
InChIKeyUYWDQMAPEXQSSC-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide
CID 174914865
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-[(E)-2-phenylethenyl]azulene
CID 12674002
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
2-[(E)-2-phenylethenyl]phenolate
CID 23105470
1-ethynyl-2-[(E)-2-phenylethenyl]benzene
CID 12890898
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843
tetrakis[2-[(E)-2-phenylethenyl]phenyl]silane
CID 22630526
2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705601

Frequently Asked Questions

What is the IUPAC name of benzylidene-[2-(2-phenylethenyl)phenyl]borane?
The IUPAC name of benzylidene-[2-(2-phenylethenyl)phenyl]borane (CID 69091271) is benzylidene-[2-(2-phenylethenyl)phenyl]borane.
What is the SMILES notation for benzylidene-[2-(2-phenylethenyl)phenyl]borane?
The canonical SMILES for benzylidene-[2-(2-phenylethenyl)phenyl]borane is B(=C/c1ccccc1)\c1ccccc1C=Cc1ccccc1.
What is the InChIKey of benzylidene-[2-(2-phenylethenyl)phenyl]borane?
The InChIKey is UYWDQMAPEXQSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17B/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(20)22-17-19-11-5-2-6-12-19/h1-17H.
What are the key properties of benzylidene-[2-(2-phenylethenyl)phenyl]borane?
benzylidene-[2-(2-phenylethenyl)phenyl]borane has a molecular weight of 280.18 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene-[2-(2-phenylethenyl)phenyl]borane is sourced from PubChem (CID 69091271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).