dimethyl-(3-phenylphenyl)borane;ethane

C20H33B — CID 91237547

IUPACdimethyl-(3-phenylphenyl)borane;ethane
SMILESCB(C)c1cccc(-c2ccccc2)c1.CC.CC.CC
InChIInChI=1S/C14H15B.3C2H6/c1-15(2)14-10-6-9-13(11-14)12-7-4-3-5-8-12;3*1-2/h3-11H,1-2H3;3*1-2H3
InChIKeyBOEQRSXSHHCVIR-UHFFFAOYSA-N
MW284.30 g/mol
LogP6.39
Rot. Bonds2

About dimethyl-(3-phenylphenyl)borane;ethane

dimethyl-(3-phenylphenyl)borane;ethane (PubChem CID 91237547) has the molecular formula C20H33B and a molecular weight of 284.30 g/mol. Its IUPAC name is dimethyl-(3-phenylphenyl)borane;ethane.

Molecular Properties

Compound Namedimethyl-(3-phenylphenyl)borane;ethane
PubChem CID91237547
Molecular FormulaC20H33B
Molecular Weight284.30 g/mol
Exact Mass284.27
IUPAC Namedimethyl-(3-phenylphenyl)borane;ethane
SMILESCB(C)c1cccc(-c2ccccc2)c1.CC.CC.CC
InChIInChI=1S/C14H15B.3C2H6/c1-15(2)14-10-6-9-13(11-14)12-7-4-3-5-8-12;3*1-2/h3-11H,1-2H3;3*1-2H3
InChIKeyBOEQRSXSHHCVIR-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.30
LogP ≤ 56.39
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

ethane;[3-(3-phenylphenyl)phenyl]boronic acid
CID 143904580
bis(1,3-diphenylbenzene);ethane
CID 144938975
1,3-diphenylbenzene;ethane;methane
CID 171489435
[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180
benzene;1,1'-biphenyl;ethane
CID 158550617
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
ethane;1-methyl-3-phenylbenzene
CID 142040878
1,1'-biphenyl;ethane;naphthalene
CID 160802649
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-phenylphenyl)borane;ethane?
The IUPAC name of dimethyl-(3-phenylphenyl)borane;ethane (CID 91237547) is dimethyl-(3-phenylphenyl)borane;ethane.
What is the SMILES notation for dimethyl-(3-phenylphenyl)borane;ethane?
The canonical SMILES for dimethyl-(3-phenylphenyl)borane;ethane is CB(C)c1cccc(-c2ccccc2)c1.CC.CC.CC.
What is the InChIKey of dimethyl-(3-phenylphenyl)borane;ethane?
The InChIKey is BOEQRSXSHHCVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15B.3C2H6/c1-15(2)14-10-6-9-13(11-14)12-7-4-3-5-8-12;3*1-2/h3-11H,1-2H3;3*1-2H3.
What are the key properties of dimethyl-(3-phenylphenyl)borane;ethane?
dimethyl-(3-phenylphenyl)borane;ethane has a molecular weight of 284.30 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-phenylphenyl)borane;ethane is sourced from PubChem (CID 91237547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).