1-ethenylpicene

C24H16 — CID 174294618

IUPAC1-ethenylpicene
SMILESC=Cc1cccc2ccc3c4ccc5ccccc5c4ccc3c12
InChIInChI=1S/C24H16/c1-2-16-7-5-8-18-11-13-22-21-12-10-17-6-3-4-9-19(17)20(21)14-15-23(22)24(16)18/h2-15H,1H2
InChIKeyLSACWFMUGMIWPT-UHFFFAOYSA-N
MW304.39 g/mol
LogP6.94
Rot. Bonds1

About 1-ethenylpicene

1-ethenylpicene (PubChem CID 174294618) has the molecular formula C24H16 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-ethenylpicene.

Molecular Properties

Compound Name1-ethenylpicene
PubChem CID174294618
Molecular FormulaC24H16
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name1-ethenylpicene
SMILESC=Cc1cccc2ccc3c4ccc5ccccc5c4ccc3c12
InChIInChI=1S/C24H16/c1-2-16-7-5-8-18-11-13-22-21-12-10-17-6-3-4-9-19(17)20(21)14-15-23(22)24(16)18/h2-15H,1H2
InChIKeyLSACWFMUGMIWPT-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpicene?
The IUPAC name of 1-ethenylpicene (CID 174294618) is 1-ethenylpicene.
What is the SMILES notation for 1-ethenylpicene?
The canonical SMILES for 1-ethenylpicene is C=Cc1cccc2ccc3c4ccc5ccccc5c4ccc3c12.
What is the InChIKey of 1-ethenylpicene?
The InChIKey is LSACWFMUGMIWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16/c1-2-16-7-5-8-18-11-13-22-21-12-10-17-6-3-4-9-19(17)20(21)14-15-23(22)24(16)18/h2-15H,1H2.
What are the key properties of 1-ethenylpicene?
1-ethenylpicene has a molecular weight of 304.39 g/mol, XLogP of 6.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpicene is sourced from PubChem (CID 174294618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).