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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 Weight:
412.40800000000013 g/mol
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
Identifiers:
SMILES:
O=c1c2ccc3c4c(ccc(c24)c2nc4ccccc4n12)c(=O)n1c2ccccc2nc31
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 412.41 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Perinone None | Legacy Database |
| cas-canonical-smile | O=C1C2=CC=C3C4=NC=5C=CC=CC5N4C(=O)C=6C=CC(C7=NC=8C=CC=CC8N17)=C2C63 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=DGBWPZSGHAXYGK-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Orange 43 None | Legacy Database |
| wikipedia-name | Perinone None | Legacy Database |
| LogP | 4.344000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 412.40800000000013 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 412.09602562400005 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 32 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 8 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 68.74000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 126.38400000000003 | RDKit |