3-(naphthalen-1-ylmethyl)-1-pentylindole

C24H25N — CID 56603534

IUPAC3-(naphthalen-1-ylmethyl)-1-pentylindole
SMILESCCCCCn1cc(Cc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H25N/c1-2-3-8-16-25-18-21(23-14-6-7-15-24(23)25)17-20-12-9-11-19-10-4-5-13-22(19)20/h4-7,9-15,18H,2-3,8,16-17H2,1H3
InChIKeyTYBRSILIYTUTSQ-UHFFFAOYSA-N
MW327.47 g/mol
LogP6.58
Rot. Bonds6

About 3-(naphthalen-1-ylmethyl)-1-pentylindole

3-(naphthalen-1-ylmethyl)-1-pentylindole (PubChem CID 56603534) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)-1-pentylindole.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)-1-pentylindole
PubChem CID56603534
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC Name3-(naphthalen-1-ylmethyl)-1-pentylindole
SMILESCCCCCn1cc(Cc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H25N/c1-2-3-8-16-25-18-21(23-14-6-7-15-24(23)25)17-20-12-9-11-19-10-4-5-13-22(19)20/h4-7,9-15,18H,2-3,8,16-17H2,1H3
InChIKeyTYBRSILIYTUTSQ-UHFFFAOYSA-N
XLogP6.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(naphthalen-1-ylmethyl)-1-pentylindole 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 3-(naphthalen-1-ylmethyl)-1-pentylindole?
The IUPAC name of 3-(naphthalen-1-ylmethyl)-1-pentylindole (CID 56603534) is 3-(naphthalen-1-ylmethyl)-1-pentylindole.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)-1-pentylindole?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)-1-pentylindole is CCCCCn1cc(Cc2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)-1-pentylindole?
The InChIKey is TYBRSILIYTUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N/c1-2-3-8-16-25-18-21(23-14-6-7-15-24(23)25)17-20-12-9-11-19-10-4-5-13-22(19)20/h4-7,9-15,18H,2-3,8,16-17H2,1H3.
What are the key properties of 3-(naphthalen-1-ylmethyl)-1-pentylindole?
3-(naphthalen-1-ylmethyl)-1-pentylindole has a molecular weight of 327.47 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)-1-pentylindole is sourced from PubChem (CID 56603534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).