naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone

C24H23NO — CID 121305366

IUPACnaphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
SMILESCCCCCc1[nH]c2ccccc2c1C(=O)c1cccc2ccccc12
InChIInChI=1S/C24H23NO/c1-2-3-4-16-22-23(20-13-7-8-15-21(20)25-22)24(26)19-14-9-11-17-10-5-6-12-18(17)19/h5-15,25H,2-4,16H2,1H3
InChIKeyAWKFPKKPWYAIJV-UHFFFAOYSA-N
MW341.45 g/mol
LogP6.28
Rot. Bonds6

About naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone

naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone (PubChem CID 121305366) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
PubChem CID121305366
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Namenaphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
SMILESCCCCCc1[nH]c2ccccc2c1C(=O)c1cccc2ccccc12
InChIInChI=1S/C24H23NO/c1-2-3-4-16-22-23(20-13-7-8-15-21(20)25-22)24(26)19-14-9-11-17-10-5-6-12-18(17)19/h5-15,25H,2-4,16H2,1H3
InChIKeyAWKFPKKPWYAIJV-UHFFFAOYSA-N
XLogP6.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
CID 67690251
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1-naphthalen-1-yldodecan-1-one
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2-methyl-1-naphthalen-1-yldecan-1-one
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2-octyl-3-phenyl-1H-quinolin-4-one
CID 135391605
[3,5-bis(4-hexylphenyl)-1H-pyrrol-2-yl]-naphthalen-1-ylmethanone
CID 22648584
anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
CID 10065533
2-(2-pentyl-1H-indol-3-yl)ethyl acetate
CID 11054855
1-(9H-carbazol-1-yl)heptan-1-one
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tris(naphthalene-1-carboxylate);octyltin(3+)
CID 159919940
N-dodecylnaphthalene-1-carboxamide
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CID 56617388

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone?
The IUPAC name of naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone (CID 121305366) is naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone is CCCCCc1[nH]c2ccccc2c1C(=O)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone?
The InChIKey is AWKFPKKPWYAIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-2-3-4-16-22-23(20-13-7-8-15-21(20)25-22)24(26)19-14-9-11-17-10-5-6-12-18(17)19/h5-15,25H,2-4,16H2,1H3.
What are the key properties of naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone?
naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone has a molecular weight of 341.45 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 121305366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).