C320H206N14O2 — CID 160952368
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,9-dimethyl-6-phenyl-1,10-phenanthroline;[2-[3-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-6-methoxy-9-phenyl-1,10-phenanthrolin-5-yl]methanol;5-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline;5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2,6,9-triphenyl-1,10-phenanthroline (PubChem CID 160952368) has the molecular formula C320H206N14O2 and a molecular weight of 4279.26 g/mol. Its IUPAC name is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,9-dimethyl-6-phenyl-1,10-phenanthroline;[2-[3-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-6-methoxy-9-phenyl-1,10-phenanthrolin-5-yl]methanol;5-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline;5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2,6,9-triphenyl-1,10-phenanthroline.
| Compound Name | 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,9-dimethyl-6-phenyl-1,10-phenanthroline;[2-[3-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-6-methoxy-9-phenyl-1,10-phenanthrolin-5-yl]methanol;5-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline;5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2,6,9-triphenyl-1,10-phenanthroline |
|---|---|
| PubChem CID | 160952368 |
| Molecular Formula | C320H206N14O2 |
| Molecular Weight | 4279.26 g/mol |
| Exact Mass | 4275.64 |
| IUPAC Name | 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,9-dimethyl-6-phenyl-1,10-phenanthroline;[2-[3-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-6-methoxy-9-phenyl-1,10-phenanthrolin-5-yl]methanol;5-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline;5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2,6,9-triphenyl-1,10-phenanthroline |
| SMILES | COc1c(CO)c2ccc(-c3cccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)c3)nc2c2nc(-c3ccccc3)ccc12.Cc1ccc2c(-c3ccccc3)c(-c3cccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)c3ccc(C)nc3c2n1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5cccnc5c5ncccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5cc6ccc(-c7ccccn7)nc6c6nc(-c7ccccn7)ccc56)c4)ccc23)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c(-c4ccc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)cc4)c4ccc(-c5ccccc5)nc4c3n2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6cccnc6c6ncccc56)ccc34)ccc2c1 |
| InChI | InChI=1S/C62H40N2.C60H40N2O2.C60H40N2.C54H34N4.C46H28N2.C38H24N2/c1-6-18-42(19-7-1)55-38-36-52-59(46-26-14-5-15-27-46)60(53-37-39-56(43-20-8-2-9-21-43)64-62(53)61(52)63-55)47-32-30-41(31-33-47)48-34-35-51-54(40-48)58(45-24-12-4-13-25-45)50-29-17-16-28-49(50)57(51)44-22-10-3-11-23-44;1-64-60-51-31-33-54(39-16-3-2-4-17-39)61-59(51)58-50(53(60)36-63)30-32-55(62-58)42-21-11-20-40(34-42)41-28-29-49-52(35-41)57(46-27-13-19-38-15-6-8-23-44(38)46)48-25-10-9-24-47(48)56(49)45-26-12-18-37-14-5-7-22-43(37)45;1-37-23-30-52-57(41-15-4-3-5-16-41)58(53-31-24-38(2)62-60(53)59(52)61-37)46-20-12-19-44(35-46)45-29-32-51-54(36-45)56(48-28-26-40-14-7-9-18-43(40)34-48)50-22-11-10-21-49(50)55(51)47-27-25-39-13-6-8-17-42(39)33-47;1-3-14-35(15-4-1)51-41-20-7-8-21-42(41)52(36-16-5-2-6-17-36)46-33-38(24-26-43(46)51)37-18-13-19-39(32-37)45-34-40-25-28-49(47-22-9-11-30-55-47)57-53(40)54-44(45)27-29-50(58-54)48-23-10-12-31-56-48;1-3-11-31-25-34(19-17-29(31)9-1)43-37-14-5-6-15-38(37)44(35-20-18-30-10-2-4-12-32(30)26-35)42-27-33(21-22-39(42)43)41-28-36-13-7-23-47-45(36)46-40(41)16-8-24-48-46;1-3-11-25(12-4-1)35-29-16-7-8-17-30(29)36(26-13-5-2-6-14-26)34-23-27(19-20-31(34)35)33-24-28-15-9-21-39-37(28)38-32(33)18-10-22-40-38/h1-40H;2-35,63H,36H2,1H3;3-36H,1-2H3;1-34H;1-28H;1-24H |
| InChIKey | SVXUYNIKTLZDFZ-UHFFFAOYSA-N |
| XLogP | 84.71 |
| TPSA | 209.92 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 336 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4279.26 |
| LogP ≤ 5 | 84.71 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |