C159H100ClN5O10SSe6Si — CID 159421426
2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 159421426) has the molecular formula C159H100ClN5O10SSe6Si and a molecular weight of 2809.94 g/mol. Its IUPAC name is 2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.
| Compound Name | 2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione |
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| PubChem CID | 159421426 |
| Molecular Formula | C159H100ClN5O10SSe6Si |
| Molecular Weight | 2809.94 g/mol |
| Exact Mass | 2813.16 |
| IUPAC Name | 2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione |
| SMILES | CC1(C)c2ccccc2N(c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)[se]2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)[se]2)c2ccccc21.O=C1C(=Cc2ccc(N(c3ccc(Cl)cc3)c3cccc4ccccc34)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21 |
| InChI | InChI=1S/C34H20ClNO2Se.C33H23NO2Se.C32H23NO2SeSi.C30H17NO2SSe.C30H17NO2Se2/c35-24-12-14-25(15-13-24)36(31-11-5-9-21-6-3-4-10-27(21)31)32-17-16-26(39-32)20-30-33(37)28-18-22-7-1-2-8-23(22)19-29(28)34(30)38;1-33(2)26-11-5-7-13-28(26)34(29-14-8-6-12-27(29)33)30-16-15-22(37-30)19-25-31(35)23-17-20-9-3-4-10-21(20)18-24(23)32(25)36;1-37(2)28-13-7-5-11-26(28)33(27-12-6-8-14-29(27)37)30-16-15-22(36-30)19-25-31(34)23-17-20-9-3-4-10-21(20)18-24(23)32(25)35;32-29-21-15-18-7-1-2-8-19(18)16-22(21)30(33)23(29)17-20-13-14-28(35-20)31-24-9-3-5-11-26(24)34-27-12-6-4-10-25(27)31;32-29-21-15-18-7-1-2-8-19(18)16-22(21)30(33)23(29)17-20-13-14-28(34-20)31-24-9-3-5-11-26(24)35-27-12-6-4-10-25(27)31/h1-20H;2*3-19H,1-2H3;2*1-17H |
| InChIKey | LPUWHLLWRQAJIH-UHFFFAOYSA-N |
| XLogP | 34.16 |
| TPSA | 186.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2809.94 |
| LogP ≤ 5 | 34.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'} |
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