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Molecule
Bisphenol A Diphenyl Ether Bismaleimide
CAS: 79922-55-7 · C35H26N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79922-55-7
- Molecular Formula
- C35H26N2O6
- Molecular Mass
- 570.60 g/mol
Identifiers
CAS Registry Number
79922-55-7
SMILES
CC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChI Key
XAZPKEBWNIUCKF-UHFFFAOYSA-N
InChI
InChI=1S/C35H26N2O6/c1-35(2,23-3-11-27(12-4-23)42-29-15-7-25(8-16-29)36-31(38)19-20-32(36)39)24-5-13-28(14-6-24)43-30-17-9-26(10-18-30)37-33(40)21-22-34(37)41/h3-22H,1-2H3
Names and Synonyms
- Bisphenol A Diphenyl Ether Bismaleimide Common Name
- 1H-Pyrrole-2,5-dione, 1,1′-[(1-methylethylidene)bis(4,1-phenyleneoxy-4,1-phenylene)]bis- Synonym
- 1,1′-[(1-Methylethylidene)bis(4,1-phenyleneoxy-4,1-phenylene)]bis[1H-pyrrole-2,5-dione] Synonym
- MB 8000 Synonym
- 2,2-Bis[4-(4-maleimidophenoxy)phenyl]propane Synonym
- BMI-BAPP Synonym
- Bisphenol A bis(4-maleimidophenyl ether) Synonym
- DAPPI Synonym
- BBMI Synonym
- 1-[4-[4-[1-[4-[4-(2,5-Dioxo-1-pyrrolidinyl)phenoxy]phenyl]-1-methylethyl]phenoxy]phenyl]-1H-pyrrole-2,5-dione Synonym
- 2,2′-Bis[4-(4-maleimidophenoxy)phenyl]propane Synonym
- Bisphenol A diphenyl ether bismaleimide Synonym
- BMI 80 Synonym
- QY 8911-3 Synonym
- BMI 4000 Synonym
- 2,2′-[4-(4-Maleimidophenoxy)phenyl]propane Synonym
- 2,2-Bis[4-(4′-maleimidophenoxy)phenyl]propane Synonym
- KI 80 Synonym
- 1-[4-[4-[2-[4-[4-(2,5-Dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 570.60 g/mol | CAS Common Chemistry |
| 570.6010000000002 g/mol | RDKit | |
| 570.601 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1C2=CC=C(OC3=CC=C(C=C3)C(C4=CC=C(OC5=CC=C(C=C5)N6C(=O)C=CC6=O)C=C4)(C)C)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C35H26N2O6/c1-35(2,23-3-11-27(12-4-23)42-29-15-7-25(8-16-29)36-31(38)19-20-32(36)39)24-5-13-28(14-6-24)43-30-17-9-26(10-18-30)37-33(40)21-22-34(37)41/h3-22H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XAZPKEBWNIUCKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142 °C | CAS Common Chemistry |
| Name | Bisphenol A diphenyl ether bismaleimide | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 93.22 Ų | RDKit |
| 92.76 Ų | chempirical lib | |
| LogP | 6.455900000000005 | RDKit |
| 6.4559 | RDKit | |
| Molar Refractivity | 161.30999999999966 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0857 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 570.179086552 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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| 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 = 570.60 g/mol. Edit any field — others recompute live.
