7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene]

C35H30F2O2 — CID 132583793

IUPAC7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene]
SMILESCOc1ccc(/C=C/c2ccccc2F)c2c1C1(CC2)CCc2c(/C=C/c3ccccc3F)ccc(OC)c21
InChIInChI=1S/C35H30F2O2/c1-38-31-17-15-23(11-13-25-7-3-5-9-29(25)36)27-19-21-35(33(27)31)22-20-28-24(16-18-32(39-2)34(28)35)12-14-26-8-4-6-10-30(26)37/h3-18H,19-22H2,1-2H3/b13-11+,14-12+
InChIKeyHSAGQVIJGPBLBI-PHEQNACWSA-N
MW520.62 g/mol
LogP8.50
Rot. Bonds6

About 7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene]

7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene] (PubChem CID 132583793) has the molecular formula C35H30F2O2 and a molecular weight of 520.62 g/mol. Its IUPAC name is 7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene].

Molecular Properties

Compound Name7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene]
PubChem CID132583793
Molecular FormulaC35H30F2O2
Molecular Weight520.62 g/mol
Exact Mass520.22
IUPAC Name7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene]
SMILESCOc1ccc(/C=C/c2ccccc2F)c2c1C1(CC2)CCc2c(/C=C/c3ccccc3F)ccc(OC)c21
InChIInChI=1S/C35H30F2O2/c1-38-31-17-15-23(11-13-25-7-3-5-9-29(25)36)27-19-21-35(33(27)31)22-20-28-24(16-18-32(39-2)34(28)35)12-14-26-8-4-6-10-30(26)37/h3-18H,19-22H2,1-2H3/b13-11+,14-12+
InChIKeyHSAGQVIJGPBLBI-PHEQNACWSA-N
XLogP8.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.62
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene]?
The IUPAC name of 7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene] (CID 132583793) is 7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene].
What is the SMILES notation for 7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene]?
The canonical SMILES for 7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene] is COc1ccc(/C=C/c2ccccc2F)c2c1C1(CC2)CCc2c(/C=C/c3ccccc3F)ccc(OC)c21.
What is the InChIKey of 7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene]?
The InChIKey is HSAGQVIJGPBLBI-PHEQNACWSA-N. The full InChI is InChI=1S/C35H30F2O2/c1-38-31-17-15-23(11-13-25-7-3-5-9-29(25)36)27-19-21-35(33(27)31)22-20-28-24(16-18-32(39-2)34(28)35)12-14-26-8-4-6-10-30(26)37/h3-18H,19-22H2,1-2H3/b13-11+,14-12+.
What are the key properties of 7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene]?
7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene] has a molecular weight of 520.62 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7'-bis[(E)-2-(2-fluorophenyl)ethenyl]-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene] is sourced from PubChem (CID 132583793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).