C344H216N16 — CID 158127061
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-(9-phenylfluoranthen-3-yl)-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline;2-phenyl-9-(6-phenylpyren-1-yl)-1,10-phenanthroline;2-phenyl-9-(7-phenyltriphenylen-2-yl)-1,10-phenanthroline;2-phenyl-9-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline (PubChem CID 158127061) has the molecular formula C344H216N16 and a molecular weight of 4573.62 g/mol. Its IUPAC name is 2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-(9-phenylfluoranthen-3-yl)-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline;2-phenyl-9-(6-phenylpyren-1-yl)-1,10-phenanthroline;2-phenyl-9-(7-phenyltriphenylen-2-yl)-1,10-phenanthroline;2-phenyl-9-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline.
| Compound Name | 2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-(9-phenylfluoranthen-3-yl)-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline;2-phenyl-9-(6-phenylpyren-1-yl)-1,10-phenanthroline;2-phenyl-9-(7-phenyltriphenylen-2-yl)-1,10-phenanthroline;2-phenyl-9-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline |
|---|---|
| PubChem CID | 158127061 |
| Molecular Formula | C344H216N16 |
| Molecular Weight | 4573.62 g/mol |
| Exact Mass | 4569.74 |
| IUPAC Name | 2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-(9-phenylfluoranthen-3-yl)-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline;2-phenyl-9-(6-phenylpyren-1-yl)-1,10-phenanthroline;2-phenyl-9-(7-phenyltriphenylen-2-yl)-1,10-phenanthroline;2-phenyl-9-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)ccc4c(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c(c2)-c2ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c4cccc-3c24)cc1.c1ccc(-c2ccc3c4ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cc4c4ccccc4c3c2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc(-c7ccccc7)c7ccccc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8ccccc8)ccc8ccc5c6c87)nc4c3n2)cc1 |
| InChI | InChI=1S/C50H32N2.C48H30N2.C44H28N2.C42H26N2.2C40H24N2.2C40H26N2/c1-5-13-33(14-6-1)39-23-27-41-43(31-39)47(35-17-9-3-10-18-35)42-28-24-40(32-44(42)48(41)36-19-11-4-12-20-36)46-30-26-38-22-21-37-25-29-45(34-15-7-2-8-16-34)51-49(37)50(38)52-46;1-2-12-33(13-3-1)43-29-27-35-25-26-36-28-30-44(50-48(36)47(35)49-43)46-41-18-8-6-16-39(41)45(40-17-7-9-19-42(40)46)34-23-21-32(22-24-34)38-20-10-14-31-11-4-5-15-37(31)38;1-3-11-29(12-4-1)30-19-21-32(22-20-30)41-35-15-7-9-17-37(35)42(38-18-10-8-16-36(38)41)40-28-26-34-24-23-33-25-27-39(31-13-5-2-6-14-31)45-43(33)44(34)46-40;1-3-9-27(10-4-1)31-17-21-35-36-22-18-32(26-38(36)34-14-8-7-13-33(34)37(35)25-31)40-24-20-30-16-15-29-19-23-39(28-11-5-2-6-12-28)43-41(29)42(30)44-40;1-3-8-25(9-4-1)29-16-19-30-32-12-7-13-33-31(20-21-34(38(32)33)35(30)24-29)37-23-18-28-15-14-27-17-22-36(26-10-5-2-6-11-26)41-39(27)40(28)42-37;1-3-7-25(8-4-1)31-19-13-27-16-22-34-32(20-14-28-15-21-33(31)37(27)38(28)34)36-24-18-30-12-11-29-17-23-35(26-9-5-2-6-10-26)41-39(29)40(30)42-36;1-3-9-27(10-4-1)33-23-24-34(36-14-8-7-13-35(33)36)28-15-17-30(18-16-28)38-26-22-32-20-19-31-21-25-37(29-11-5-2-6-12-29)41-39(31)40(32)42-38;1-3-9-27(10-4-1)28-15-17-29(18-16-28)33-23-24-36(35-14-8-7-13-34(33)35)38-26-22-32-20-19-31-21-25-37(30-11-5-2-6-12-30)41-39(31)40(32)42-38/h1-32H;1-30H;1-28H;1-26H;2*1-24H;2*1-26H |
| InChIKey | FSHSOVHPPBHQHE-UHFFFAOYSA-N |
| XLogP | 91.81 |
| TPSA | 206.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 360 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4573.62 |
| LogP ≤ 5 | 91.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |