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1,1′-[2,2-Bis[[(2-Cyano-1-Oxo-3,3-Diphenyl-2-Propen-1-Yl)Oxy]Methyl]-1,3-Propanediyl] Bis(2-Cyano-3,3-Diphenyl-2-Propenoate)
CAS: 178671-58-4 | C69H48N4O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
178671-58-4
Molecular Formula:
C69H48N4O8
Molecular Mass:
1061.16 g/mol
Names and Synonyms:
1,1′-[2,2-Bis[[(2-Cyano-1-Oxo-3,3-Diphenyl-2-Propen-1-Yl)Oxy]Methyl]-1,3-Propanediyl] Bis(2-Cyano-3,3-Diphenyl-2-Propenoate)
2-Propenoic acid, 2-cyano-3,3-diphenyl-, 1,1′-[2,2-bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2,2-bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy]methyl]-1,3-propanediyl ester
1,1′-[2,2-Bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] bis(2-cyano-3,3-diphenyl-2-propenoate)
1,3-Bis[(2-cyano-3,3-diphenylacryloyl)oxy]-2,2-bis[[(2-cyano-3,3-diphenylacryloyl)oxy]methyl]propane
Uvinul 3030
Uvinul 3030-12
UV 3030
1,3-Bis[(2′-cyano-3′,3′-diphenylacryloyl)oxy]-2,2-bis-[(2′-cyano-3′,3′-diphenylacryloyl)oxy]methyl]propane
2,2-Bis(((2-cyano-3,3-diphenylacryloyl)oxy)methyl)propane-1,3-diyl bis(2-cyano-3,3-diphenylacrylate)
Identifiers:
SMILES:
N#CC(C(=O)OCC(COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1)(COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C69H48N4O8/c70-41-57(61(49-25-9-1-10-26-49)50-27-11-2-12-28-50)65(74)78-45-69(46-79-66(75)58(42-71)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-80-67(76)59(43-72)63(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-81-68(77)60(44-73)64(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,45-48H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
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| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1061.16 g/mol | CAS Common Chemistry |
| 1061.163 g/mol | RDKit | |
| 1060.347214496 g/mol | RDKit | |
| Canonical SMILES | N#CC(C(=O)OCC(COC(=O)C(C#N)=C(C=1C=CC=CC1)C=2C=CC=CC2)(COC(=O)C(C#N)=C(C=3C=CC=CC3)C=4C=CC=CC4)COC(=O)C(C#N)=C(C=5C=CC=CC5)C=6C=CC=CC6)=C(C=7C=CC=CC7)C=8C=CC=CC8 | CAS Common Chemistry |
| InChI | InChI=1S/C69H48N4O8/c70-41-57(61(49-25-9-1-10-26-49)50-27-11-2-12-28-50)65(74)78-45-69(46-79-66(75)58(42-71)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-80-67(76)59(43-72)63(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-81-68(77)60(44-73)64(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,45-48H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CVSXFBFIOUYODT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1′-[2,2-Bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] bis(2-cyano-3,3-diphenyl-2-propenoate) | CAS Common Chemistry |
| Heavy Atom Count | 81 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 8 | RDKit |
| Topological Polar Surface Area | 200.35999999999999 Ų | RDKit |
| LogP | 12.248319999999984 | RDKit |
| Molar Refractivity | 304.34500000000054 | RDKit |
