C156H98N12Se4 — CID 167575606
2-dibenzoselenophen-4-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylnaphthalen-2-yl)dibenzoselenophen-4-yl]-1,3,5-triazine;2-(6-naphthalen-2-yldibenzoselenophen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6-naphthalen-2-yldibenzoselenophen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 167575606) has the molecular formula C156H98N12Se4 and a molecular weight of 2456.42 g/mol. Its IUPAC name is 2-dibenzoselenophen-4-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylnaphthalen-2-yl)dibenzoselenophen-4-yl]-1,3,5-triazine;2-(6-naphthalen-2-yldibenzoselenophen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6-naphthalen-2-yldibenzoselenophen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-dibenzoselenophen-4-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylnaphthalen-2-yl)dibenzoselenophen-4-yl]-1,3,5-triazine;2-(6-naphthalen-2-yldibenzoselenophen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6-naphthalen-2-yldibenzoselenophen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 167575606 |
| Molecular Formula | C156H98N12Se4 |
| Molecular Weight | 2456.42 g/mol |
| Exact Mass | 2458.47 |
| IUPAC Name | 2-dibenzoselenophen-4-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylnaphthalen-2-yl)dibenzoselenophen-4-yl]-1,3,5-triazine;2-(6-naphthalen-2-yldibenzoselenophen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6-naphthalen-2-yldibenzoselenophen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5[se]c6c(-c7ccc8ccccc8c7)cccc6c5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5[se]c6c(-c7ccc8ccccc8c7)cccc6c45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[se]c3c(-c5cc(-c6ccccc6)c6ccccc6c5)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[se]c3ccccc34)n2)cc1 |
| InChI | InChI=1S/3C43H27N3Se.C27H17N3Se/c1-4-14-28(15-5-1)38-27-32(26-31-20-10-11-21-33(31)38)34-22-12-23-35-36-24-13-25-37(40(36)47-39(34)35)43-45-41(29-16-6-2-7-17-29)44-42(46-43)30-18-8-3-9-19-30;1-3-11-28(12-4-1)30-21-24-32(25-22-30)42-44-41(31-14-5-2-6-15-31)45-43(46-42)37-19-10-20-38-39(37)36-18-9-17-35(40(36)47-38)34-26-23-29-13-7-8-16-33(29)27-34;1-3-10-28(11-4-1)30-18-21-32(22-19-30)42-44-41(31-13-5-2-6-14-31)45-43(46-42)35-24-25-39-38(27-35)37-17-9-16-36(40(37)47-39)34-23-20-29-12-7-8-15-33(29)26-34;1-3-10-18(11-4-1)25-28-26(19-12-5-2-6-13-19)30-27(29-25)22-16-9-15-21-20-14-7-8-17-23(20)31-24(21)22/h3*1-27H;1-17H |
| InChIKey | GMIAEWZZJJARCN-UHFFFAOYSA-N |
| XLogP | 38.41 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 172 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2456.42 |
| LogP ≤ 5 | 38.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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