C310H250N20O2PtS2 — CID 157229957
2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;methane;6-methyl-2-[4-[10-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole;N-[4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine;platinum(2+);2-(6-pyridin-2-yl-2-pyridinyl)-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;5,6,11,12-tetraphenyltetracene (PubChem CID 157229957) has the molecular formula C310H250N20O2PtS2 and a molecular weight of 4546.76 g/mol. Its IUPAC name is 2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;methane;6-methyl-2-[4-[10-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole;N-[4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine;platinum(2+);2-(6-pyridin-2-yl-2-pyridinyl)-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;5,6,11,12-tetraphenyltetracene.
| Compound Name | 2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;methane;6-methyl-2-[4-[10-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole;N-[4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine;platinum(2+);2-(6-pyridin-2-yl-2-pyridinyl)-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;5,6,11,12-tetraphenyltetracene |
|---|---|
| PubChem CID | 157229957 |
| Molecular Formula | C310H250N20O2PtS2 |
| Molecular Weight | 4546.76 g/mol |
| Exact Mass | 4542.92 |
| IUPAC Name | 2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;methane;6-methyl-2-[4-[10-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole;N-[4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine;platinum(2+);2-(6-pyridin-2-yl-2-pyridinyl)-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;5,6,11,12-tetraphenyltetracene |
| SMILES | C.C.C.C.C.C.C.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Cc1ccc2nc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccc(C)cc7s6)cc5)c5ccccc45)cc3)sc2c1.[Pt+2].c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5c4)nc23)cc1.c1ccc(-c2cccc(-c3nnc(-c4cccc(-c5nnc(-c6cccc(-c7ccccn7)n6)o5)c4)o3)n2)nc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(C3(c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C57H40N2.C52H36N2.C44H28N2.C42H28N2S2.C42H28.C36H44N4.C30H18N8O2.7CH4.Pt/c1-3-21-45(22-4-1)58(55-31-15-19-41-17-7-9-25-49(41)55)47-37-33-43(34-38-47)57(53-29-13-11-27-51(53)52-28-12-14-30-54(52)57)44-35-39-48(40-36-44)59(46-23-5-2-6-24-46)56-32-16-20-42-18-8-10-26-50(42)56;1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52;1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36;1-25-11-21-35-37(23-25)45-41(43-35)29-17-13-27(14-18-29)39-31-7-3-5-9-33(31)40(34-10-6-4-8-32(34)39)28-15-19-30(20-16-28)42-44-36-22-12-26(2)24-38(36)46-42;1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-3-16-31-21(10-1)23-12-6-14-25(33-23)29-37-35-27(39-29)19-8-5-9-20(18-19)28-36-38-30(40-28)26-15-7-13-24(34-26)22-11-2-4-17-32-22;;;;;;;;/h1-40H;1-36H;1-28H;3-24H,1-2H3;1-28H;17-20H,9-16H2,1-8H3;1-18H;7*1H4;/q;;;;;-2;;;;;;;;;+2/b;;;;;29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;; |
| InChIKey | ATZHGTGVGBBNOI-YBMXIPDWSA-N |
| XLogP | 86.04 |
| TPSA | 247.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 335 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4546.76 |
| LogP ≤ 5 | 86.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |