16,18-dioxo-17-{4-[(E)-phenyldiazenyl]phenyl}-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
Chemical Structure Depiction of
16,18-dioxo-17-{4-[(E)-phenyldiazenyl]phenyl}-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
16,18-dioxo-17-{4-[(E)-phenyldiazenyl]phenyl}-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
Compound characteristics
| Compound ID: | 2170-0001 |
| Compound Name: | 16,18-dioxo-17-{4-[(E)-phenyldiazenyl]phenyl}-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde |
| Molecular Weight: | 483.53 |
| Molecular Formula: | C31 H21 N3 O3 |
| Smiles: | C(C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc(cc1)/N=N/c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1748 |
| logD: | 5.1747 |
| logSw: | -5.3962 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.296 |
| InChI Key: | LMUBYGYMRZCQLI-UHFFFAOYSA-N |