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| Duplicate ID | |
|---|---|
| Molecule Name | N,N'-[quinazoline-2,4-diylbis(4,1-phenylene)]bis(4-nitro-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}benzamide) |
| Smiles | O=C(Nc1cc(ccc1C(=O)Nc1ccc(cc1)c1nc2ccccc2c(n1)c1ccc(cc1)NC(=O)c1ccc(cc1NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-] |
| Cas Number | |
| InchiKey | BTPINDPYDUDYPZ-YEBYOEETSA-N |
| InChi | InChI=1S/C52H34N10O12/c63-47(27-9-31-5-19-37(20-6-31)59(67)68)55-45-29-39(61(71)72)23-25-42(45)51(65)53-35-15-11-33(12-16-35)49-41-3-1-2-4-44(41)57-50(58-49)34-13-17-36(18-14-34)54-52(66)43-26-24-40(62(73)74)30-46(43)56-48(64)28-10-32-7-21-38(22-8-32)60(69)70/h1-30H,(H,53,65)(H,54,66)(H,55,63)(H,56,64)/b27-9+,28-10+ |
| Formula | C52H34N10O12 |
| Molecular weight | 990.886 |
| Rings | 8 |
| logP | 12.7898 |
| PSA | 325.46 |
| MR | 281.976 |