cyclopenta-1,3-dien-1-yl(diphenyl)borane

C17H15B — CID 15791983

IUPACcyclopenta-1,3-dien-1-yl(diphenyl)borane
SMILESC1=CCC(B(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C17H15B/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-13H,14H2
InChIKeyKOAZOZWTIBGXCY-UHFFFAOYSA-N
MW230.12 g/mol
LogP2.72
Rot. Bonds3

About cyclopenta-1,3-dien-1-yl(diphenyl)borane

cyclopenta-1,3-dien-1-yl(diphenyl)borane (PubChem CID 15791983) has the molecular formula C17H15B and a molecular weight of 230.12 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl(diphenyl)borane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl(diphenyl)borane
PubChem CID15791983
Molecular FormulaC17H15B
Molecular Weight230.12 g/mol
Exact Mass230.13
IUPAC Namecyclopenta-1,3-dien-1-yl(diphenyl)borane
SMILESC1=CCC(B(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C17H15B/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-13H,14H2
InChIKeyKOAZOZWTIBGXCY-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 52.72
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

cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane
CID 101108535
sodium triphenylborane
CID 14535009
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
di(cyclopenta-1,3-dien-1-yl)-diphenylsilane
CID 18430524
1-cyclopenta-1,3-dien-1-ylethylbenzene
CID 11116496
1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126
(3-methylphenyl)-diphenylborane
CID 145125944
(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine
CID 12637323
di(cyclopenta-1,3-dien-1-yl)methylbenzene;hydride;titanium
CID 173327010
di(cyclopenta-1,3-dien-1-yl)methylbenzene;hydride;zirconium
CID 173021155
di(cyclopenta-1,3-dien-1-yl)methylbenzene;hafnium;hydride
CID 173327025
(4-fluorophenyl)-diphenylborane
CID 57046052

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl(diphenyl)borane?
The IUPAC name of cyclopenta-1,3-dien-1-yl(diphenyl)borane (CID 15791983) is cyclopenta-1,3-dien-1-yl(diphenyl)borane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl(diphenyl)borane?
The canonical SMILES for cyclopenta-1,3-dien-1-yl(diphenyl)borane is C1=CCC(B(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl(diphenyl)borane?
The InChIKey is KOAZOZWTIBGXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15B/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-13H,14H2.
What are the key properties of cyclopenta-1,3-dien-1-yl(diphenyl)borane?
cyclopenta-1,3-dien-1-yl(diphenyl)borane has a molecular weight of 230.12 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl(diphenyl)borane is sourced from PubChem (CID 15791983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).