1-phenylacenaphthylene

C18H12 — CID 13119282

IUPAC1-phenylacenaphthylene
SMILESC1=C(c2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C18H12/c1-2-6-13(7-3-1)17-12-15-10-4-8-14-9-5-11-16(17)18(14)15/h1-12H
InChIKeyRGYRCSKRQNNKOE-UHFFFAOYSA-N
MW228.29 g/mol
LogP4.74
Rot. Bonds1

About 1-phenylacenaphthylene

1-phenylacenaphthylene (PubChem CID 13119282) has the molecular formula C18H12 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-phenylacenaphthylene.

Molecular Properties

Compound Name1-phenylacenaphthylene
PubChem CID13119282
Molecular FormulaC18H12
Molecular Weight228.29 g/mol
Exact Mass228.09
IUPAC Name1-phenylacenaphthylene
SMILESC1=C(c2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C18H12/c1-2-6-13(7-3-1)17-12-15-10-4-8-14-9-5-11-16(17)18(14)15/h1-12H
InChIKeyRGYRCSKRQNNKOE-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-phenylacenaphthylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenylacenaphthylene?
The IUPAC name of 1-phenylacenaphthylene (CID 13119282) is 1-phenylacenaphthylene.
What is the SMILES notation for 1-phenylacenaphthylene?
The canonical SMILES for 1-phenylacenaphthylene is C1=C(c2ccccc2)c2cccc3cccc1c23.
What is the InChIKey of 1-phenylacenaphthylene?
The InChIKey is RGYRCSKRQNNKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12/c1-2-6-13(7-3-1)17-12-15-10-4-8-14-9-5-11-16(17)18(14)15/h1-12H.
What are the key properties of 1-phenylacenaphthylene?
1-phenylacenaphthylene has a molecular weight of 228.29 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylacenaphthylene is sourced from PubChem (CID 13119282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).