C331H219N3O10P10 — CID 158365460
2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene (PubChem CID 158365460) has the molecular formula C331H219N3O10P10 and a molecular weight of 4708.14 g/mol. Its IUPAC name is 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene.
| Compound Name | 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene |
|---|---|
| PubChem CID | 158365460 |
| Molecular Formula | C331H219N3O10P10 |
| Molecular Weight | 4708.14 g/mol |
| Exact Mass | 4704.41 |
| IUPAC Name | 2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene |
| SMILES | O=P(c1ccc2cc3cc4ccccc4cc3cc2c1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc2cc3cc4ccccc4cc3cc2c1.O=P(c1ccccc1)(c1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc2ccc3cccc4ccc1c2c34.O=P(c1ccccc1)(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccc4ccc1c2c34.O=P(c1ccccc1)(c1ccccc1)c1c2cc3ccccc3cc2cc2cc3ccccc3cc12.O=P(c1ccccc1)(c1ccccc1)c1c2ccc3ccccc3c2cc2ccc3ccccc3c12.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4cc5cc(P(=O)(c6ccccc6)c6ccccc6)ccc5cc4cc3cc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc3cc4ccccc4cc3cc2n1 |
| InChI | InChI=1S/C46H32O2P2.C42H27OP.C40H25OP.C38H25OP.C34H21N2OP.3C34H23OP.C29H20NOP/c47-49(41-13-5-1-6-14-41,42-15-7-2-8-16-42)45-23-21-33-25-35-28-38-30-40-32-46(24-22-34(40)26-36(38)27-37(35)29-39(33)31-45)50(48,43-17-9-3-10-18-43)44-19-11-4-12-20-44;43-44(40-12-2-1-3-13-40,41-16-14-32-22-34-18-28-8-4-6-10-30(28)20-36(34)24-38(32)26-41)42-17-15-33-23-35-19-29-9-5-7-11-31(29)21-37(35)25-39(33)27-42;41-42(35-11-2-1-3-12-35,38-20-17-28-14-13-26-9-6-10-27-16-19-37(38)40(28)39(26)27)36-18-15-31-23-32-21-29-7-4-5-8-30(29)22-33(32)24-34(31)25-36;39-40(37-17-7-13-26-9-3-5-15-35(26)37,38-18-8-14-27-10-4-6-16-36(27)38)34-20-19-30-23-31-21-28-11-1-2-12-29(28)22-32(31)24-33(30)25-34;37-38(27-9-2-1-3-10-27,30-20-17-26-14-13-25-8-5-21-35-33(25)34(26)36-30)29-19-16-24-12-11-22-6-4-7-23-15-18-28(29)32(24)31(22)23;35-36(30-15-3-1-4-16-30,31-17-5-2-6-18-31)34-32-22-26-13-9-7-11-24(26)19-28(32)21-29-20-25-12-8-10-14-27(25)23-33(29)34;35-36(27-13-3-1-4-14-27,28-15-5-2-6-16-28)34-31-22-21-24-11-7-9-17-29(24)32(31)23-26-20-19-25-12-8-10-18-30(25)33(26)34;35-36(32-11-3-1-4-12-32,33-13-5-2-6-14-33)34-16-15-26-19-29-20-27-17-24-9-7-8-10-25(24)18-28(27)21-30(29)22-31(26)23-34;31-32(26-11-3-1-4-12-26,27-13-5-2-6-14-27)29-16-15-23-19-24-17-21-9-7-8-10-22(21)18-25(24)20-28(23)30-29/h1-32H;1-27H;1-25H;1-25H;1-21H;3*1-23H;1-20H |
| InChIKey | GTYZQTAEGACTKR-UHFFFAOYSA-N |
| XLogP | 75.92 |
| TPSA | 209.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 354 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4708.14 |
| LogP ≤ 5 | 75.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |