[(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane

C18H17B — CID 142331512

IUPAC[(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane
SMILESC=C/C=C(\C=C)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17B/c1-3-11-16(4-2)19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h3-15H,1-2H2/b16-11+
InChIKeyULIZYZDBGCUSJE-LFIBNONCSA-N
MW244.15 g/mol
LogP3.13
Rot. Bonds5

About [(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane

[(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane (PubChem CID 142331512) has the molecular formula C18H17B and a molecular weight of 244.15 g/mol. Its IUPAC name is [(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane.

Molecular Properties

Compound Name[(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane
PubChem CID142331512
Molecular FormulaC18H17B
Molecular Weight244.15 g/mol
Exact Mass244.14
IUPAC Name[(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane
SMILESC=C/C=C(\C=C)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17B/c1-3-11-16(4-2)19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h3-15H,1-2H2/b16-11+
InChIKeyULIZYZDBGCUSJE-LFIBNONCSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis[(3E)-hexa-1,3,5-trien-3-yl]-methyl-phenyl-λ4-sulfane
CID 142310236
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
benzene;[(3E)-hexa-1,3,5-trien-3-yl]sulfanylbenzene
CID 144677177
(1Z)-1-phenylbuta-1,3-diene-1-thiol
CID 11193677
N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
CID 142835485
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
2-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 134447786
1-chloroprop-2-enyl(diphenyl)borane
CID 88515359
ethane;phenylboronic acid
CID 54560949
ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane
CID 163386323
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164

Frequently Asked Questions

What is the IUPAC name of [(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane?
The IUPAC name of [(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane (CID 142331512) is [(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane.
What is the SMILES notation for [(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane?
The canonical SMILES for [(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane is C=C/C=C(\C=C)B(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane?
The InChIKey is ULIZYZDBGCUSJE-LFIBNONCSA-N. The full InChI is InChI=1S/C18H17B/c1-3-11-16(4-2)19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h3-15H,1-2H2/b16-11+.
What are the key properties of [(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane?
[(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane has a molecular weight of 244.15 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane is sourced from PubChem (CID 142331512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).