1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene

C25H24 — CID 53249197

IUPAC1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene
SMILESCCCCCC1=C/C(=C\c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H24/c1-2-3-4-11-21-18-22(25-16-8-7-15-24(21)25)17-20-13-9-12-19-10-5-6-14-23(19)20/h5-10,12-18H,2-4,11H2,1H3/b22-17+
InChIKeyFPESBQVTVSBBSE-OQKWZONESA-N
MW324.47 g/mol
LogP7.36
Rot. Bonds5

About 1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene

1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene (PubChem CID 53249197) has the molecular formula C25H24 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene
PubChem CID53249197
Molecular FormulaC25H24
Molecular Weight324.47 g/mol
Exact Mass324.19
IUPAC Name1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene
SMILESCCCCCC1=C/C(=C\c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H24/c1-2-3-4-11-21-18-22(25-16-8-7-15-24(21)25)17-20-13-9-12-19-10-5-6-14-23(19)20/h5-10,12-18H,2-4,11H2,1H3/b22-17+
InChIKeyFPESBQVTVSBBSE-OQKWZONESA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene 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-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene?
The IUPAC name of 1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene (CID 53249197) is 1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene.
What is the SMILES notation for 1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene?
The canonical SMILES for 1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene is CCCCCC1=C/C(=C\c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene?
The InChIKey is FPESBQVTVSBBSE-OQKWZONESA-N. The full InChI is InChI=1S/C25H24/c1-2-3-4-11-21-18-22(25-16-8-7-15-24(21)25)17-20-13-9-12-19-10-5-6-14-23(19)20/h5-10,12-18H,2-4,11H2,1H3/b22-17+.
What are the key properties of 1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene?
1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene has a molecular weight of 324.47 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene is sourced from PubChem (CID 53249197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).