PCU
Summary
| Name: | CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN |
| Formula: | C44 H36 Cu N8 |
| Formal charge: | 0 |
| Formula weight: | 740.356 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [5,10,15,20-tetrakis(1-methylpyridin-4(1H)-ylidene)-5,10,15,20,22,24-hexahydroporphyrinato(4-)-kappa~4~N~21~,N~22~,N~23~,N~24~]copper |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | c56\C(=C1/C=CN(C=C1)C)c%11ccc%12C(=C2/C=CN(C=C2)C)/c%10ccc9C(=C3/C=CN(C=C3)C)/c8ccc7C(=C4/C=CN(C=C4)C)/c(cc5)n6[Cu](n78)(n9%10)n%11%12 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1C=CC(C=C1)=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C)C=C8)c9ccc(n59)C(=C%10C=CN(C)C=C%10)c%11ccc(n6%11)C4=C%12C=CN(C)C=C%12 |
| SMILES | CACTVS | 3.341 | CN1C=CC(C=C1)=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C)C=C8)c9ccc(n59)C(=C%10C=CN(C)C=C%10)c%11ccc(n6%11)C4=C%12C=CN(C)C=C%12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1C=CC(=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1C=CC(=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1 |
| InChI | InChI | 1.03 | InChI=1S/C44H36N8.Cu/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;/h5-28H,1-4H3;/q-4;+4 |
| InChIKey | InChI | 1.03 | VSZLZGDEQJGAOM-UHFFFAOYSA-N |
