2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone

C95H99ClN4O6 — CID 158439434

About 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone

2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone (PubChem CID 158439434) has the molecular formula C95H99ClN4O6 and a molecular weight of 1428.31 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
• PubChem CID: 158439434
• Molecular Formula: C95H99ClN4O6
• Molecular Weight: 1428.31 g/mol
• Exact Mass: 1426.73
• IUPAC Name: 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
• SMILES: CCCCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.COc1ccccc1CC(=O)c1cn(CCC2CCCCC2)c2ccccc12
• InChI: InChI=1S/C25H29NO2.C25H25NO2.C24H23NO.C21H22ClNO/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19;1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21;1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21;1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3;5-8,10-15,17H,3-4,9,16H2,1-2H3;4-7,9-15,17H,2-3,8,16H2,1H3;4-7,9-12,15H,2-3,8,13-14H2,1H3
• InChIKey: HCPZSVHMKFDBED-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 106.46 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1428.31
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone?

The IUPAC name of 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone (CID 158439434) is 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone.

What is the SMILES notation for 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone?

The canonical SMILES for 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.COc1ccccc1CC(=O)c1cn(CCC2CCCCC2)c2ccccc12.

What is the InChIKey of 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone?

The InChIKey is HCPZSVHMKFDBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2.C25H25NO2.C24H23NO.C21H22ClNO/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19;1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21;1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21;1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3;5-8,10-15,17H,3-4,9,16H2,1-2H3;4-7,9-15,17H,2-3,8,16H2,1H3;4-7,9-12,15H,2-3,8,13-14H2,1H3.

What are the key properties of 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone?

2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone has a molecular weight of 1428.31 g/mol, XLogP of 24.40, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone;1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone;(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 158439434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).