naphthalen-1-yl-(1-pentylindol-3-yl)methanone

C24H23NO — CID 10382701

IUPACnaphthalen-1-yl-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
InChIKeyJDNLPKCAXICMBW-UHFFFAOYSA-N
MW341.45 g/mol
LogP6.22
Rot. Bonds6

About naphthalen-1-yl-(1-pentylindol-3-yl)methanone

naphthalen-1-yl-(1-pentylindol-3-yl)methanone (PubChem CID 10382701) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is naphthalen-1-yl-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(1-pentylindol-3-yl)methanone
PubChem CID10382701
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Namenaphthalen-1-yl-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
InChIKeyJDNLPKCAXICMBW-UHFFFAOYSA-N
XLogP6.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(1-pentylindol-3-yl)methanone?
The IUPAC name of naphthalen-1-yl-(1-pentylindol-3-yl)methanone (CID 10382701) is naphthalen-1-yl-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(1-pentylindol-3-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of naphthalen-1-yl-(1-pentylindol-3-yl)methanone?
The InChIKey is JDNLPKCAXICMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3.
What are the key properties of naphthalen-1-yl-(1-pentylindol-3-yl)methanone?
naphthalen-1-yl-(1-pentylindol-3-yl)methanone has a molecular weight of 341.45 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 10382701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).