C332H339N13 — CID 167701389
9-anthracen-2-yl-2,7-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-naphthalen-2-ylcarbazole;2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[7-[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]carbazole;2,7-ditert-butyl-10-[7-[7-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylacridine (PubChem CID 167701389) has the molecular formula C332H339N13 and a molecular weight of 4511.45 g/mol. Its IUPAC name is 9-anthracen-2-yl-2,7-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-naphthalen-2-ylcarbazole;2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[7-[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]carbazole;2,7-ditert-butyl-10-[7-[7-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylacridine.
| Compound Name | 9-anthracen-2-yl-2,7-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-naphthalen-2-ylcarbazole;2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[7-[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]carbazole;2,7-ditert-butyl-10-[7-[7-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylacridine |
|---|---|
| PubChem CID | 167701389 |
| Molecular Formula | C332H339N13 |
| Molecular Weight | 4511.45 g/mol |
| Exact Mass | 4507.69 |
| IUPAC Name | 9-anthracen-2-yl-2,7-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-naphthalen-2-ylcarbazole;2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[7-[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]carbazole;2,7-ditert-butyl-10-[7-[7-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylacridine |
| SMILES | CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(N5c6ccc(C(C)(C)C)cc6C(C)(C)c6cc(C(C)(C)C)ccc65)ccc3-4)ccc1-2.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc3-4)ccc1-2.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3n(-c3ccc4cc5ccccc5cc4c3)c2c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3n(-c3ccc4ccccc4c3)c2c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3n(-c3ccccc3)c2c1 |
| InChI | InChI=1S/C76H84N2.C70H72N2.C66H63N3.C62H61N3.C58H59N3/c1-69(2,3)47-23-33-65-61(39-47)75(17,18)62-40-48(70(4,5)6)24-34-66(62)77(65)51-27-31-55-53-29-21-45(37-57(53)73(13,14)59(55)43-51)46-22-30-54-56-32-28-52(44-60(56)74(15,16)58(54)38-46)78-67-35-25-49(71(7,8)9)41-63(67)76(19,20)64-42-50(72(10,11)12)26-36-68(64)78;1-65(2,3)43-19-29-61-53(35-43)54-36-44(66(4,5)6)20-30-62(54)71(61)47-23-27-51-49-25-17-41(33-57(49)69(13,14)59(51)39-47)42-18-26-50-52-28-24-48(40-60(52)70(15,16)58(50)34-42)72-63-31-21-45(67(7,8)9)37-55(63)56-38-46(68(10,11)12)22-32-64(56)72;1-63(2,3)44-18-27-57-53(34-44)54-35-45(64(4,5)6)19-28-58(54)67(57)49-23-25-51-52-26-24-50(68-59-29-20-46(65(7,8)9)36-55(59)56-37-47(66(10,11)12)21-30-60(56)68)39-62(52)69(61(51)38-49)48-22-17-42-31-40-15-13-14-16-41(40)32-43(42)33-48;1-59(2,3)40-18-27-53-49(32-40)50-33-41(60(4,5)6)19-28-54(50)63(53)45-23-25-47-48-26-24-46(37-58(48)65(57(47)36-45)44-22-17-38-15-13-14-16-39(38)31-44)64-55-29-20-42(61(7,8)9)34-51(55)52-35-43(62(10,11)12)21-30-56(52)64;1-55(2,3)36-18-26-49-45(30-36)46-31-37(56(4,5)6)19-27-50(46)60(49)41-22-24-43-44-25-23-42(35-54(44)59(53(43)34-41)40-16-14-13-15-17-40)61-51-28-20-38(57(7,8)9)32-47(51)48-33-39(58(10,11)12)21-29-52(48)61/h21-44H,1-20H3;17-40H,1-16H3;13-39H,1-12H3;13-37H,1-12H3;13-35H,1-12H3 |
| InChIKey | YLCOCMBMZXZIJN-UHFFFAOYSA-N |
| XLogP | 92.69 |
| TPSA | 60.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 345 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4511.45 |
| LogP ≤ 5 | 92.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |