4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one

C105H68O5 — CID 89382687

About 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one

4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one (PubChem CID 89382687) has the molecular formula C105H68O5 and a molecular weight of 1409.69 g/mol. Its IUPAC name is 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one.

Molecular Properties

• Compound Name: 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one
• PubChem CID: 89382687
• Molecular Formula: C105H68O5
• Molecular Weight: 1409.69 g/mol
• Exact Mass: 1408.51
• IUPAC Name: 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one
• SMILES: O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccc(-c6ccccc6)cc5)=C4c4ccc(Oc5ccc(C6=C(c7ccc(-c8ccccc8)cc7)C(=O)C(c7ccccc7)=C6c6ccccc6)cc5)cc4)cc3)cc2)=C1c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C105H68O5/c106-103-97(77-35-19-6-20-36-77)91(75-31-15-4-16-32-75)93(100(103)84-47-41-72(42-48-84)69-25-9-1-10-26-69)80-53-61-87(62-54-80)109-89-65-57-82(58-66-89)95-96(102(105(108)99(95)79-39-23-8-24-40-79)86-51-45-74(46-52-86)71-29-13-3-14-30-71)83-59-67-90(68-60-83)110-88-63-55-81(56-64-88)94-92(76-33-17-5-18-34-76)98(78-37-21-7-22-38-78)104(107)101(94)85-49-43-73(44-50-85)70-27-11-2-12-28-70/h1-68H
• InChIKey: PYQYZQRRWLDYAK-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 69.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1409.69
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one?

The IUPAC name of 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one (CID 89382687) is 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one.

What is the SMILES notation for 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one?

The canonical SMILES for 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one is O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccc(-c6ccccc6)cc5)=C4c4ccc(Oc5ccc(C6=C(c7ccc(-c8ccccc8)cc7)C(=O)C(c7ccccc7)=C6c6ccccc6)cc5)cc4)cc3)cc2)=C1c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one?

The InChIKey is PYQYZQRRWLDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H68O5/c106-103-97(77-35-19-6-20-36-77)91(75-31-15-4-16-32-75)93(100(103)84-47-41-72(42-48-84)69-25-9-1-10-26-69)80-53-61-87(62-54-80)109-89-65-57-82(58-66-89)95-96(102(105(108)99(95)79-39-23-8-24-40-79)86-51-45-74(46-52-86)71-29-13-3-14-30-71)83-59-67-90(68-60-83)110-88-63-55-81(56-64-88)94-92(76-33-17-5-18-34-76)98(78-37-21-7-22-38-78)104(107)101(94)85-49-43-73(44-50-85)70-27-11-2-12-28-70/h1-68H.

What are the key properties of 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one?

4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one has a molecular weight of 1409.69 g/mol, XLogP of 25.59, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 89382687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).