[1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone

C50H47FN2O2 — CID 123575449

About [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone

[1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone (PubChem CID 123575449) has the molecular formula C50H47FN2O2 and a molecular weight of 726.94 g/mol. Its IUPAC name is [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone
• PubChem CID: 123575449
• Molecular Formula: C50H47FN2O2
• Molecular Weight: 726.94 g/mol
• Exact Mass: 726.36
• IUPAC Name: [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone
• SMILES: CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccc(Cc3ccc(C(=O)c4cn(CCCCCF)c5ccccc45)c4ccccc34)cc21
• InChI: InChI=1S/C50H47FN2O2/c1-3-4-13-28-53-33-46(49(54)43-24-21-34(2)37-15-6-8-17-39(37)43)42-25-22-35(31-48(42)53)30-36-23-26-44(40-18-9-7-16-38(36)40)50(55)45-32-52(29-14-5-12-27-51)47-20-11-10-19-41(45)47/h6-11,15-26,31-33H,3-5,12-14,27-30H2,1-2H3
• InChIKey: GYCXWZHYZCQBOS-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 44.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.94
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone?

The IUPAC name of [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone (CID 123575449) is [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone.

What is the SMILES notation for [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone?

The canonical SMILES for [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone is CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccc(Cc3ccc(C(=O)c4cn(CCCCCF)c5ccccc45)c4ccccc34)cc21.

What is the InChIKey of [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone?

The InChIKey is GYCXWZHYZCQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H47FN2O2/c1-3-4-13-28-53-33-46(49(54)43-24-21-34(2)37-15-6-8-17-39(37)43)42-25-22-35(31-48(42)53)30-36-23-26-44(40-18-9-7-16-38(36)40)50(55)45-32-52(29-14-5-12-27-51)47-20-11-10-19-41(45)47/h6-11,15-26,31-33H,3-5,12-14,27-30H2,1-2H3.

What are the key properties of [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone?

[1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone has a molecular weight of 726.94 g/mol, XLogP of 12.59, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(5-fluoropentyl)indol-3-yl]-[4-[[3-(4-methylnaphthalene-1-carbonyl)-1-pentylindol-6-yl]methyl]naphthalen-1-yl]methanone is sourced from PubChem (CID 123575449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).