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Pigment Black 32
CAS: 83524-75-8 | C40H26N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83524-75-8
Molecular Formula:
C40H26N2O6
Molecular Mass:
630.66 g/mol
Names and Synonyms:
Pigment Black 32
Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis[(4-methoxyphenyl)methyl]-
2,9-Bis[(4-methoxyphenyl)methyl]anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone
N,N′-Bis(4-methoxybenzyl)perylene-3,4:9,10-bis(dicarboximide)
C.I. 71133
C.I. Pigment Black 32
Pigment Black 32
Paliogen Black L 0086
PDI-32
HPP Black 8230
N,N′-Bis(4-methoxybenzyl)perylene-3,4,9,10-bis(dicarboximide)
Black L 0086
2,9-Bis(4-methoxybenzyl)anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
Perylene Black 32
Identifiers:
SMILES:
COc1ccc(CN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(Cc2ccc(OC)cc2)C6=O)cc1
InChI:
InChI=1S/C40H26N2O6/c1-47-23-7-3-21(4-8-23)19-41-37(43)29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)20-22-5-9-24(48-2)10-6-22)18-14-28(34(27)36)26-12-16-30(38(41)44)35(29)33(25)26/h3-18H,19-20H2,1-2H3
Key Properties
Melting Point
187-188 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 630.66 g/mol | CAS Common Chemistry |
| 630.6560000000004 g/mol | RDKit | |
| 630.1790865520001 g/mol | RDKit | |
| Canonical SMILES | O=C1C2=CC=C3C4=CC=C5C(=O)N(C(=O)C6=CC=C(C=7C=CC(C(=O)N1CC8=CC=C(OC)C=C8)=C2C37)C4=C56)CC9=CC=C(OC)C=C9 | CAS Common Chemistry |
| InChI | InChI=1S/C40H26N2O6/c1-47-23-7-3-21(4-8-23)19-41-37(43)29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)20-22-5-9-24(48-2)10-6-22)18-14-28(34(27)36)26-12-16-30(38(41)44)35(29)33(25)26/h3-18H,19-20H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LQDAMBYDGRGJGA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 187-188 °C | CAS Common Chemistry |
| Name | Pigment Black 32 | CAS Common Chemistry |
| Heavy Atom Count | 48 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 7 | RDKit |
| Topological Polar Surface Area | 93.22 Ų | RDKit |
| LogP | 7.346800000000006 | RDKit |
| Molar Refractivity | 182.04799999999966 | RDKit |
