2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene]

C78H58 — CID 59217297

About 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene]

2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene] (PubChem CID 59217297) has the molecular formula C78H58 and a molecular weight of 995.32 g/mol. Its IUPAC name is 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene].

Molecular Properties

• Compound Name: 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene]
• PubChem CID: 59217297
• Molecular Formula: C78H58
• Molecular Weight: 995.32 g/mol
• Exact Mass: 994.45
• IUPAC Name: 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene]
• SMILES: C(=C(c1ccccc1)c1ccccc1)c1cc(-c2ccc3c(c2)C2(CCCCC2)c2cc(-c4cc(C=C(c5ccccc5)c5ccccc5)cc(-c5cccc6ccccc56)c4)ccc2-3)cc(-c2cccc3ccccc23)c1
• InChI: InChI=1S/C78H58/c1-6-22-58(23-7-1)74(59-24-8-2-9-25-59)48-54-44-64(50-66(46-54)70-36-20-32-56-30-14-16-34-68(56)70)62-38-40-72-73-41-39-63(53-77(73)78(76(72)52-62)42-18-5-19-43-78)65-45-55(47-67(51-65)71-37-21-33-57-31-15-17-35-69(57)71)49-75(60-26-10-3-11-27-60)61-28-12-4-13-29-61/h1-4,6-17,20-41,44-53H,5,18-19,42-43H2
• InChIKey: ISWRSEWVURUHIE-UHFFFAOYSA-N
• XLogP: 21.07
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.32
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene]?

The IUPAC name of 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene] (CID 59217297) is 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene].

What is the SMILES notation for 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene]?

The canonical SMILES for 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene] is C(=C(c1ccccc1)c1ccccc1)c1cc(-c2ccc3c(c2)C2(CCCCC2)c2cc(-c4cc(C=C(c5ccccc5)c5ccccc5)cc(-c5cccc6ccccc56)c4)ccc2-3)cc(-c2cccc3ccccc23)c1.

What is the InChIKey of 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene]?

The InChIKey is ISWRSEWVURUHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H58/c1-6-22-58(23-7-1)74(59-24-8-2-9-25-59)48-54-44-64(50-66(46-54)70-36-20-32-56-30-14-16-34-68(56)70)62-38-40-72-73-41-39-63(53-77(73)78(76(72)52-62)42-18-5-19-43-78)65-45-55(47-67(51-65)71-37-21-33-57-31-15-17-35-69(57)71)49-75(60-26-10-3-11-27-60)61-28-12-4-13-29-61/h1-4,6-17,20-41,44-53H,5,18-19,42-43H2.

What are the key properties of 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene]?

2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene] has a molecular weight of 995.32 g/mol, XLogP of 21.07, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene] is sourced from PubChem (CID 59217297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).