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Molecule
Perinone
CAS: 4424-06-0 · C26H12N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4424-06-0
- Molecular Formula
- C26H12N4O2
- Molecular Mass
- 412.41 g/mol
Identifiers
CAS Registry Number
4424-06-0
SMILES
O=c1c2ccc3c4c(ccc(c24)c2nc4ccccc4n12)c(=O)n1c2ccccc2nc31
InChI Key
DGBWPZSGHAXYGK-UHFFFAOYSA-N
InChI
InChI=1S/C26H12N4O2/c31-25-15-12-10-14-22-16(26(32)30-20-8-4-2-6-18(20)28-24(14)30)11-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25/h1-12H
Names and Synonyms
- Perinone Synonym
- Bisbenzimidazo[2,1-b:2′,1′-i]benzo[lmn][3,8]phenanthroline-8,17-dione Synonym
- C.I. 71105 Synonym
- Anthragen Brilliant Orange GR Lake 29-3002 Synonym
- Anthragen Brilliant Orange GR Toner 29-3001 Synonym
- Cibanone brilliant Orange GR Synonym
- C.I. Vat Orange 7 Synonym
- Fenanthren Brilliant Orange GR Synonym
- Helio Brilliant Orange GRA Supra Paste 29-3016 Synonym
- Helio Brilliant Orange GR Presscake 29-3003 Synonym
- Hostaperm Vat Orange GR Synonym
- Hostavat Brilliant Orange GR Synonym
- Indanthren Brilliant Orange GR Synonym
- Indanthrene Brilliant Orange GR Synonym
- Indanthrene Brilliant Orange GRP Synonym
- Mikethren Brilliant Orange GR Synonym
- Ostanthrene orange GR Synonym
- Ostanthren Orange GR Synonym
- Palanthrene Brilliant Orange GR Synonym
- Paradone Brilliant Orange GR Synonym
- Paradone Brilliant Orange GR New Synonym
- Sanyo Permanent Orange D 213 Synonym
- Sanyo Permanent Orange D 616 Synonym
- Solanthrene Brilliant Orange JR Synonym
- Symuler Fast Orange GRD Synonym
- Threne Brilliant Orange GR Synonym
- Tinon Brilliant Orange GR Synonym
- PV Fast Orange GRL Synonym
- trans-Perinone Synonym
- Bordeaux RRN Synonym
- Brilliant Orange GR Synonym
- Mikethrene Orange GR Synonym
- Vat Brilliant Orange Synonym
- Vat Scarlet 2Zh Synonym
- C.I. Pigment Orange 43 Synonym
- Hostaperm Orange GR Synonym
- Indofast Orange OV 5983 Synonym
- Pigment Brilliant Orange Anthraquinone Synonym
- Vat Scarlet 2ZhD Synonym
- Perinone Orange Synonym
- Lionogen Orange GR Synonym
- Pigment Orange 43 Synonym
- Fastogen Super Orange 6200 Synonym
- Solanthrene Brilliant Orange FJRA Synonym
- Vat Orange 7 Synonym
- Fuji AS Orange 200 Synonym
- Vat Brilliant Orange GR Synonym
- Novoperm Orange GRL Synonym
- Orange A 76 Synonym
- Hostaperm Orange 43 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 412.41 g/mol | CAS Common Chemistry |
| 412.40800000000013 g/mol | RDKit | |
| 412.408 g/mol | RDKit | |
| 413.416 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perinone | CAS Common Chemistry |
| Canonical SMILES | O=C1C2=CC=C3C4=NC=5C=CC=CC5N4C(=O)C=6C=CC(C7=NC=8C=CC=CC8N17)=C2C63 | CAS Common Chemistry |
| InChI | InChI=1S/C26H12N4O2/c31-25-15-12-10-14-22-16(26(32)30-20-8-4-2-6-18(20)28-24(14)30)11-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25/h1-12H | CAS Common Chemistry |
| InChI Key | InChIKey=DGBWPZSGHAXYGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Orange 43 | CAS Common Chemistry |
| Perinone | CAS Common Chemistry | |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 8 | RDKit |
| Topological Polar Surface Area | 68.74000000000001 Ų | RDKit |
| 68.74 Ų | RDKit | |
| 73.87 Ų | chempirical lib | |
| LogP | 4.344000000000004 | RDKit |
| 4.344 | RDKit | |
| Molar Refractivity | 126.38400000000003 cm³/mol | RDKit |
| Ring Count | 8 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 412.09602562400005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 412.41 g/mol. Edit any field — others recompute live.
