C220H143N15 — CID 161295055
9-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(9-phenylfluoren-9-yl)carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-(9-phenylfluoren-9-yl)carbazole;9-[4-(4-naphthalen-2-ylphenyl)pyrimidin-2-yl]-2-(9-phenylfluoren-9-yl)carbazole (PubChem CID 161295055) has the molecular formula C220H143N15 and a molecular weight of 2996.67 g/mol. Its IUPAC name is 9-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(9-phenylfluoren-9-yl)carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-(9-phenylfluoren-9-yl)carbazole;9-[4-(4-naphthalen-2-ylphenyl)pyrimidin-2-yl]-2-(9-phenylfluoren-9-yl)carbazole.
| Compound Name | 9-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(9-phenylfluoren-9-yl)carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-(9-phenylfluoren-9-yl)carbazole;9-[4-(4-naphthalen-2-ylphenyl)pyrimidin-2-yl]-2-(9-phenylfluoren-9-yl)carbazole |
|---|---|
| PubChem CID | 161295055 |
| Molecular Formula | C220H143N15 |
| Molecular Weight | 2996.67 g/mol |
| Exact Mass | 2994.17 |
| IUPAC Name | 9-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(9-phenylfluoren-9-yl)carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-(9-phenylfluoren-9-yl)carbazole;9-[4-(4-naphthalen-2-ylphenyl)pyrimidin-2-yl]-2-(9-phenylfluoren-9-yl)carbazole |
| SMILES | c1ccc(-c2ccc3c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-n3c4ccccc4c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc54)cc3)n2)cc1.c1ccc(C2(c3ccc4c5ccccc5n(-c5nccc(-c6ccc(-c7ccc8ccccc8c7)cc6)n5)c4c3)c3ccccc3-c3ccccc32)cc1 |
| InChI | InChI=1S/C65H42N4.2C52H34N4.C51H33N3/c1-5-21-43(22-6-1)61-66-62(44-37-39-52-51-31-15-17-33-55(51)64(58(52)41-44,45-23-7-2-8-24-45)46-25-9-3-10-26-46)68-63(67-61)69-59-36-20-16-32-53(59)54-40-38-48(42-60(54)69)65(47-27-11-4-12-28-47)56-34-18-13-29-49(56)50-30-14-19-35-57(50)65;1-5-17-35(18-6-1)38-29-31-43-44-32-30-40(52(39-23-11-4-12-24-39)45-27-15-13-25-41(45)42-26-14-16-28-46(42)52)34-48(44)56(47(43)33-38)51-54-49(36-19-7-2-8-20-36)53-50(55-51)37-21-9-3-10-22-37;1-4-16-35(17-5-1)49-53-50(36-18-6-2-7-19-36)55-51(54-49)37-28-31-40(32-29-37)56-47-27-15-12-24-43(47)44-33-30-39(34-48(44)56)52(38-20-8-3-9-21-38)45-25-13-10-22-41(45)42-23-11-14-26-46(42)52;1-2-14-39(15-3-1)51(45-19-9-6-16-41(45)42-17-7-10-20-46(42)51)40-28-29-44-43-18-8-11-21-48(43)54(49(44)33-40)50-52-31-30-47(53-50)36-25-22-35(23-26-36)38-27-24-34-12-4-5-13-37(34)32-38/h1-42H;2*1-34H;1-33H |
| InChIKey | VGWDCMZNYRELSH-UHFFFAOYSA-N |
| XLogP | 52.12 |
| TPSA | 161.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 235 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2996.67 |
| LogP ≤ 5 | 52.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |