C178H113N9S3 — CID 163509066
2,4-diphenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-[2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163509066) has the molecular formula C178H113N9S3 and a molecular weight of 2474.13 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-[2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-[2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 163509066 |
| Molecular Formula | C178H113N9S3 |
| Molecular Weight | 2474.13 g/mol |
| Exact Mass | 2471.83 |
| IUPAC Name | 2,4-diphenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-[2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)sc4ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)n2)cc1 |
| InChI | InChI=1S/C70H45N3S.C56H35N3S.C52H33N3S/c1-4-19-46(20-5-1)48-35-37-49(38-36-48)67-71-68(52-24-18-23-50(43-52)47-21-6-2-7-22-47)73-69(72-67)61-32-13-12-29-57(61)56-28-11-10-27-55(56)51-39-41-60-62-45-54(40-42-65(62)74-66(60)44-51)70(53-25-8-3-9-26-53)63-33-16-14-30-58(63)59-31-15-17-34-64(59)70;1-3-16-37(17-4-1)53-57-54(40-28-27-36-15-7-8-18-38(36)33-40)59-55(58-53)46-24-10-9-21-43(46)39-29-31-51-47(34-39)48-35-42(30-32-52(48)60-51)56(41-19-5-2-6-20-41)49-25-13-11-22-44(49)45-23-12-14-26-50(45)56;1-4-16-34(17-5-1)49-53-50(35-18-6-2-7-19-35)55-51(54-49)42-25-11-10-22-39(42)36-28-30-47-43(32-36)44-33-38(29-31-48(44)56-47)52(37-20-8-3-9-21-37)45-26-14-12-23-40(45)41-24-13-15-27-46(41)52/h1-45H;1-35H;1-33H |
| InChIKey | DBCPBACGNXRZSA-UHFFFAOYSA-N |
| XLogP | 45.97 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 190 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2474.13 |
| LogP ≤ 5 | 45.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |