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Molecule
2,2′-[9H-Fluoren-9-Ylidenebis(6,2-Naphthalenediyloxymethylene)]Bis[Oxirane]
CAS: 1238475-45-0 · C39H30O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1238475-45-0
- Molecular Formula
- C39H30O4
- Molecular Mass
- 562.67 g/mol
Identifiers
CAS Registry Number
1238475-45-0
SMILES
c1ccc2c(c1)-c1ccccc1C2(c1ccc2cc(OCC3CO3)ccc2c1)c1ccc2cc(OCC3CO3)ccc2c1
InChI Key
OROZTGFBKXEPSI-UHFFFAOYSA-N
InChI
InChI=1S/C39H30O4/c1-3-7-37-35(5-1)36-6-2-4-8-38(36)39(37,29-13-9-27-19-31(15-11-25(27)17-29)40-21-33-23-42-33)30-14-10-28-20-32(16-12-26(28)18-30)41-22-34-24-43-34/h1-20,33-34H,21-24H2
Names and Synonyms
- 2,2′-[9H-Fluoren-9-Ylidenebis(6,2-Naphthalenediyloxymethylene)]Bis[Oxirane] Systematic Name
- Oxirane, 2,2′-[9H-fluoren-9-ylidenebis(6,2-naphthalenediyloxymethylene)]bis- Synonym
- 2,2′-[9H-Fluoren-9-ylidenebis(6,2-naphthalenediyloxymethylene)]bis[oxirane] Synonym
- 9,9-Bis(6-glycidyloxy-2-naphthyl)fluorene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 562.67 g/mol | CAS Common Chemistry |
| 562.6650000000003 g/mol | RDKit | |
| 562.665 g/mol | RDKit | |
| Canonical SMILES | O(C=1C=CC2=CC(=CC=C2C1)C3(C4=CC=C5C=C(OCC6OC6)C=CC5=C4)C=7C=CC=CC7C=8C=CC=CC83)CC9OC9 | CAS Common Chemistry |
| InChI | InChI=1S/C39H30O4/c1-3-7-37-35(5-1)36-6-2-4-8-38(36)39(37,29-13-9-27-19-31(15-11-25(27)17-29)40-21-33-23-42-33)30-14-10-28-20-32(16-12-26(28)18-30)41-22-34-24-43-34/h1-20,33-34H,21-24H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OROZTGFBKXEPSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2′-[9H-Fluoren-9-ylidenebis(6,2-naphthalenediyloxymethylene)]bis[oxirane] | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 43.519999999999996 Ų | RDKit |
| 43.52 Ų | RDKit | |
| LogP | 7.911300000000008 | RDKit |
| 7.9113 | RDKit | |
| Molar Refractivity | 169.22799999999958 cm³/mol | RDKit |
| Ring Count | 9 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1795 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 562.2144094399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 562.67 g/mol. Edit any field — others recompute live.
