cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+)

C34H25FeN — CID 163207255

About cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+)

cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+) (PubChem CID 163207255) has the molecular formula C34H25FeN and a molecular weight of 503.43 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+).

Molecular Properties

• Compound Name: cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+)
• PubChem CID: 163207255
• Molecular Formula: C34H25FeN
• Molecular Weight: 503.43 g/mol
• Exact Mass: 503.13
• IUPAC Name: cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+)
• SMILES: [Fe+2].c1cc[cH-]c1.c1ccc(-c2cc(-n3c(-[c-]4cccc4)cc4ccccc43)c3ccccc3c2)cc1
• InChI: InChI=1S/C29H20N.C5H5.Fe/c1-2-10-21(11-3-1)25-18-23-14-6-8-16-26(23)29(20-25)30-27-17-9-7-15-24(27)19-28(30)22-12-4-5-13-22;1-2-4-5-3-1;/h1-20H;1-5H;/q2*-1;+2
• InChIKey: ZJPKCOJNGUZEKB-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.43
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+)?

The IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+) (CID 163207255) is cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+).

What is the SMILES notation for cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+)?

The canonical SMILES for cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+) is [Fe+2].c1cc[cH-]c1.c1ccc(-c2cc(-n3c(-[c-]4cccc4)cc4ccccc43)c3ccccc3c2)cc1.

What is the InChIKey of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+)?

The InChIKey is ZJPKCOJNGUZEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N.C5H5.Fe/c1-2-10-21(11-3-1)25-18-23-14-6-8-16-26(23)29(20-25)30-27-17-9-7-15-24(27)19-28(30)22-12-4-5-13-22;1-2-4-5-3-1;/h1-20H;1-5H;/q2*-1;+2.

What are the key properties of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+)?

cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+) has a molecular weight of 503.43 g/mol, XLogP of 9.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+) is sourced from PubChem (CID 163207255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).