C321H193N31 — CID 158143774
6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;7-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,4-benzotriazine;7-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,4-benzotriazine;7-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,4-benzotriazine;6-[2,6-di(anthracen-1-yl)-4-pyridinyl]quinazoline;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]quinazoline;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]quinazoline (PubChem CID 158143774) has the molecular formula C321H193N31 and a molecular weight of 4484.29 g/mol. Its IUPAC name is 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;7-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,4-benzotriazine;7-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,4-benzotriazine;7-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,4-benzotriazine;6-[2,6-di(anthracen-1-yl)-4-pyridinyl]quinazoline;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]quinazoline;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]quinazoline.
| Compound Name | 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;7-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,4-benzotriazine;7-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,4-benzotriazine;7-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,4-benzotriazine;6-[2,6-di(anthracen-1-yl)-4-pyridinyl]quinazoline;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]quinazoline;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]quinazoline |
|---|---|
| PubChem CID | 158143774 |
| Molecular Formula | C321H193N31 |
| Molecular Weight | 4484.29 g/mol |
| Exact Mass | 4480.61 |
| IUPAC Name | 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;7-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,4-benzotriazine;7-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,4-benzotriazine;7-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,4-benzotriazine;6-[2,6-di(anthracen-1-yl)-4-pyridinyl]quinazoline;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]quinazoline;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]quinazoline |
| SMILES | c1ccc2c(-c3cc(-c4ccc5ncncc5c4)cc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1.c1ccc2c(-c3cc(-c4ccc5ncnnc5c4)cc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1.c1ccc2cc3c(-c4cc(-c5ccc6ncncc6c5)cc(-c5cccc6cc7ccccc7cc56)n4)cccc3cc2c1.c1ccc2cc3c(-c4cc(-c5ccc6ncnnc6c5)cc(-c5cccc6cc7ccccc7cc56)n4)cccc3cc2c1.c1ccc2cc3c(-c4cc(-c5ccc6nnnnc6c5)cc(-c5cccc6cc7ccccc7cc56)n4)cccc3cc2c1.c1ccc2cc3cc(-c4cc(-c5ccc6ncncc6c5)cc(-c5ccc6cc7ccccc7cc6c5)n4)ccc3cc2c1.c1ccc2cc3cc(-c4cc(-c5ccc6ncnnc6c5)cc(-c5ccc6cc7ccccc7cc6c5)n4)ccc3cc2c1.c1ccc2cc3cc(-c4cc(-c5ccc6nnnnc6c5)cc(-c5ccc6cc7ccccc7cc6c5)n4)ccc3cc2c1 |
| InChI | InChI=1S/3C41H25N3.3C40H24N4.2C39H23N5/c1-5-13-33-27(9-1)20-28-10-2-6-14-34(28)40(33)38-22-31(26-17-18-37-32(19-26)24-42-25-43-37)23-39(44-38)41-35-15-7-3-11-29(35)21-30-12-4-8-16-36(30)41;1-3-9-28-20-37-31(17-26(28)7-1)11-5-13-35(37)40-22-33(30-15-16-39-34(19-30)24-42-25-43-39)23-41(44-40)36-14-6-12-32-18-27-8-2-4-10-29(27)21-38(32)36;1-3-7-28-17-35-20-33(11-9-30(35)15-26(28)5-1)40-22-37(32-13-14-39-38(19-32)24-42-25-43-39)23-41(44-40)34-12-10-31-16-27-6-2-4-8-29(27)18-36(31)21-34;1-5-13-31-26(9-1)19-27-10-2-6-14-32(27)39(31)37-22-30(25-17-18-35-36(21-25)44-42-24-41-35)23-38(43-37)40-33-15-7-3-11-28(33)20-29-12-4-8-16-34(29)40;1-3-9-27-19-35-30(17-25(27)7-1)11-5-13-33(35)38-22-32(29-15-16-37-40(21-29)44-42-24-41-37)23-39(43-38)34-14-6-12-31-18-26-8-2-4-10-28(26)20-36(31)34;1-3-7-27-17-34-19-32(11-9-29(34)15-25(27)5-1)38-22-36(31-13-14-37-40(21-31)44-42-24-41-37)23-39(43-38)33-12-10-30-16-26-6-2-4-8-28(26)18-35(30)20-33;1-3-9-26-19-34-29(17-24(26)7-1)11-5-13-32(34)37-22-31(28-15-16-36-39(21-28)42-44-43-41-36)23-38(40-37)33-14-6-12-30-18-25-8-2-4-10-27(25)20-35(30)33;1-3-7-26-17-33-19-31(11-9-28(33)15-24(26)5-1)37-22-35(30-13-14-36-39(21-30)42-44-43-41-36)23-38(40-37)32-12-10-29-16-25-6-2-4-8-27(25)18-34(29)20-32/h3*1-25H;3*1-24H;2*1-23H |
| InChIKey | FUGLSAZNWCJPMR-UHFFFAOYSA-N |
| XLogP | 80.87 |
| TPSA | 399.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 352 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4484.29 |
| LogP ≤ 5 | 80.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |