C269H184N14 — CID 160723883
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole (PubChem CID 160723883) has the molecular formula C269H184N14 and a molecular weight of 3612.53 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole.
| Compound Name | 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole |
|---|---|
| PubChem CID | 160723883 |
| Molecular Formula | C269H184N14 |
| Molecular Weight | 3612.53 g/mol |
| Exact Mass | 3609.48 |
| IUPAC Name | 3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc43)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc43)cc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/2C58H38N4.C57H40N2.C51H36N2.C45H32N2/c1-5-17-39(18-6-1)51-35-45(36-52(59-51)40-19-7-2-8-20-40)61-55-27-15-13-25-47(55)49-33-43(29-31-57(49)61)44-30-32-58-50(34-44)48-26-14-16-28-56(48)62(58)46-37-53(41-21-9-3-10-22-41)60-54(38-46)42-23-11-4-12-24-42;1-5-17-39(18-6-1)45-35-51(40-19-7-2-8-20-40)60-58(36-45)62-55-28-16-14-26-48(55)50-34-44(30-32-57(50)62)43-29-31-56-49(33-43)47-25-13-15-27-54(47)61(56)46-37-52(41-21-9-3-10-22-41)59-53(38-46)42-23-11-4-12-24-42;1-57(2)51-22-12-9-19-45(51)46-28-27-43(36-52(46)57)58-53-23-13-10-20-47(53)49-34-39(25-29-55(49)58)40-26-30-56-50(35-40)48-21-11-14-24-54(48)59(56)44-32-41(37-15-5-3-6-16-37)31-42(33-44)38-17-7-4-8-18-38;1-51(2)45-17-9-6-14-39(45)40-27-26-38(32-46(40)51)53-48-19-11-8-16-42(48)44-31-36(23-29-50(44)53)35-22-28-49-43(30-35)41-15-7-10-18-47(41)52(49)37-24-20-34(21-25-37)33-12-4-3-5-13-33;1-45(2)39-17-9-6-14-33(39)34-23-22-32(28-40(34)45)47-42-19-11-8-16-36(42)38-27-30(21-25-44(38)47)29-20-24-43-37(26-29)35-15-7-10-18-41(35)46(43)31-12-4-3-5-13-31/h2*1-38H;3-36H,1-2H3;3-32H,1-2H3;3-28H,1-2H3 |
| InChIKey | RTLKBXULPOJJTF-UHFFFAOYSA-N |
| XLogP | 70.57 |
| TPSA | 100.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 283 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3612.53 |
| LogP ≤ 5 | 70.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |