[1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

C92H95FN4O6 — CID 158356700

IUPAC[1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)Cc2ccccc2OC)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21.O=C(c1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C25H25NO.C24H22FNO.C22H25NO2.C21H23NO2/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22;25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21;1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2;1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-8,10-15,17H,3-4,9,16H2,1-2H3;2-5,8-14,17H,1,6-7,15-16H2;5-8,10-13,16H,3-4,9,14-15H2,1-2H3;5-6,8-13,15H,3-4,7,14H2,1-2H3
InChIKeyGSYTZPMELCHQBM-UHFFFAOYSA-N
MW1371.79 g/mol
LogP23.03
Rot. Bonds28

About [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

[1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 158356700) has the molecular formula C92H95FN4O6 and a molecular weight of 1371.79 g/mol. Its IUPAC name is [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name[1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
PubChem CID158356700
Molecular FormulaC92H95FN4O6
Molecular Weight1371.79 g/mol
Exact Mass1370.72
IUPAC Name[1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)Cc2ccccc2OC)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21.O=C(c1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C25H25NO.C24H22FNO.C22H25NO2.C21H23NO2/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22;25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21;1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2;1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-8,10-15,17H,3-4,9,16H2,1-2H3;2-5,8-14,17H,1,6-7,15-16H2;5-8,10-13,16H,3-4,9,14-15H2,1-2H3;5-6,8-13,15H,3-4,7,14H2,1-2H3
InChIKeyGSYTZPMELCHQBM-UHFFFAOYSA-N
XLogP23.03
TPSA106.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001371.79
LogP ≤ 523.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (CID 158356700) is [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)Cc2ccccc2OC)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21.O=C(c1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is GSYTZPMELCHQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO.C24H22FNO.C22H25NO2.C21H23NO2/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22;25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21;1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2;1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-8,10-15,17H,3-4,9,16H2,1-2H3;2-5,8-14,17H,1,6-7,15-16H2;5-8,10-13,16H,3-4,9,14-15H2,1-2H3;5-6,8-13,15H,3-4,7,14H2,1-2H3.
What are the key properties of [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
[1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone has a molecular weight of 1371.79 g/mol, XLogP of 23.03, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone;2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone;(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone;(4-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 158356700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).