[2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate

C35H25ClO4Se2 — CID 134911521

About [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate

[2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate (PubChem CID 134911521) has the molecular formula C35H25ClO4Se2 and a molecular weight of 702.95 g/mol. Its IUPAC name is [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate.

Molecular Properties

• Compound Name: [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate
• PubChem CID: 134911521
• Molecular Formula: C35H25ClO4Se2
• Molecular Weight: 702.95 g/mol
• Exact Mass: 703.98
• IUPAC Name: [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate
• SMILES: [O-][Cl+3]([O-])([O-])O[Se]1=C(c2ccccc2)C=C(/C=C/C=C/C=C2\C=C(c3ccccc3)[Se]c3ccccc32)c2ccccc21
• InChI: InChI=1S/C35H25ClO4Se2/c37-36(38,39)40-42-34-23-13-11-21-31(34)29(25-35(42)27-16-6-2-7-17-27)19-9-3-8-18-28-24-33(26-14-4-1-5-15-26)41-32-22-12-10-20-30(28)32/h1-25H/b8-3+,19-9+,28-18+
• InChIKey: SIDVBXBZDSOUQV-MDPXONLVSA-N
• XLogP: 2.58
• TPSA: 78.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	702.95
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate?

The IUPAC name of [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate (CID 134911521) is [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate.

What is the SMILES notation for [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate?

The canonical SMILES for [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate is [O-][Cl+3]([O-])([O-])O[Se]1=C(c2ccccc2)C=C(/C=C/C=C/C=C2\C=C(c3ccccc3)[Se]c3ccccc32)c2ccccc21.

What is the InChIKey of [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate?

The InChIKey is SIDVBXBZDSOUQV-MDPXONLVSA-N. The full InChI is InChI=1S/C35H25ClO4Se2/c37-36(38,39)40-42-34-23-13-11-21-31(34)29(25-35(42)27-16-6-2-7-17-27)19-9-3-8-18-28-24-33(26-14-4-1-5-15-26)41-32-22-12-10-20-30(28)32/h1-25H/b8-3+,19-9+,28-18+.

What are the key properties of [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate?

[2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate has a molecular weight of 702.95 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-phenyl-4-[(1E,3E,5E)-5-(2-phenylselenochromen-4-ylidene)penta-1,3-dienyl]selenochromen-1-yl] perchlorate is sourced from PubChem (CID 134911521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).