2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene

C26H25I — CID 173486134

About 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene

2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene (PubChem CID 173486134) has the molecular formula C26H25I and a molecular weight of 464.39 g/mol. Its IUPAC name is 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene.

Molecular Properties

• Compound Name: 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene
• PubChem CID: 173486134
• Molecular Formula: C26H25I
• Molecular Weight: 464.39 g/mol
• Exact Mass: 464.10
• IUPAC Name: 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene
• SMILES: CCC=C1/C(=C\CI)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc21
• InChI: InChI=1S/C26H25I/c1-4-7-22-23-13-12-21(17-25(23)26(2,3)24(22)14-15-27)20-11-10-18-8-5-6-9-19(18)16-20/h5-14,16-17H,4,15H2,1-3H3/b22-7?,24-14+
• InChIKey: AXXUJPHSXCDBEW-NYGPUHTKSA-N
• XLogP: 7.95
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.39
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene?

The IUPAC name of 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene (CID 173486134) is 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene.

What is the SMILES notation for 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene?

The canonical SMILES for 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene is CCC=C1/C(=C\CI)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc21.

What is the InChIKey of 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene?

The InChIKey is AXXUJPHSXCDBEW-NYGPUHTKSA-N. The full InChI is InChI=1S/C26H25I/c1-4-7-22-23-13-12-21(17-25(23)26(2,3)24(22)14-15-27)20-11-10-18-8-5-6-9-19(18)16-20/h5-14,16-17H,4,15H2,1-3H3/b22-7?,24-14+.

What are the key properties of 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene?

2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene has a molecular weight of 464.39 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene is sourced from PubChem (CID 173486134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).