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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
Bisbenzimidazo[2,1-b:2′,1′-i]benzo[lmn][3,8]phenanthroline-8,17-dione
C.I. 71105
Anthragen Brilliant Orange GR Lake 29-3002
Anthragen Brilliant Orange GR Toner 29-3001
Cibanone brilliant Orange GR
C.I. Vat Orange 7
Fenanthren Brilliant Orange GR
Helio Brilliant Orange GRA Supra Paste 29-3016
Helio Brilliant Orange GR Presscake 29-3003
Hostaperm Vat Orange GR
Hostavat Brilliant Orange GR
Indanthren Brilliant Orange GR
Indanthrene Brilliant Orange GR
Indanthrene Brilliant Orange GRP
Mikethren Brilliant Orange GR
Ostanthrene orange GR
Ostanthren Orange GR
Palanthrene Brilliant Orange GR
Paradone Brilliant Orange GR
Paradone Brilliant Orange GR New
Sanyo Permanent Orange D 213
Sanyo Permanent Orange D 616
Solanthrene Brilliant Orange JR
Symuler Fast Orange GRD
Threne Brilliant Orange GR
Tinon Brilliant Orange GR
PV Fast Orange GRL
trans-Perinone
Bordeaux RRN
Brilliant Orange GR
Mikethrene Orange GR
Vat Brilliant Orange
Vat Scarlet 2Zh
C.I. Pigment Orange 43
Hostaperm Orange GR
Indofast Orange OV 5983
Pigment Brilliant Orange Anthraquinone
Vat Scarlet 2ZhD
Perinone Orange
Lionogen Orange GR
Pigment Orange 43
Fastogen Super Orange 6200
Solanthrene Brilliant Orange FJRA
Vat Orange 7
Fuji AS Orange 200
Vat Brilliant Orange GR
Novoperm Orange GRL
Orange A 76
Hostaperm Orange 43
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 |
