C214H140N12O4 — CID 158726183
7,7-dimethyl-5-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;3,6-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole (PubChem CID 158726183) has the molecular formula C214H140N12O4 and a molecular weight of 2943.55 g/mol. Its IUPAC name is 7,7-dimethyl-5-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;3,6-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole.
| Compound Name | 7,7-dimethyl-5-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;3,6-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole |
|---|---|
| PubChem CID | 158726183 |
| Molecular Formula | C214H140N12O4 |
| Molecular Weight | 2943.55 g/mol |
| Exact Mass | 2941.11 |
| IUPAC Name | 7,7-dimethyl-5-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;3,6-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc2c1oc1cccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)c12.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c45)c3cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2oc2cccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2oc2cccc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c23)cc1 |
| InChI | InChI=1S/2C55H35N3O.2C52H35N3O/c1-4-14-36(15-5-1)40-28-32-48-45(34-40)46-35-41(37-16-6-2-7-17-37)29-33-49(46)58(48)51-24-12-21-44-53-43(20-13-25-52(53)59-54(44)51)38-26-30-42(31-27-38)57-50-23-11-10-22-47(50)56-55(57)39-18-8-3-9-19-39;1-4-14-36(15-5-1)40-30-32-48-45(34-40)46-35-41(37-16-6-2-7-17-37)31-33-49(46)58(48)51-24-12-21-44-53-43(20-13-25-52(53)59-54(44)51)38-26-28-39(29-27-38)55-56-47-22-10-11-23-50(47)57(55)42-18-8-3-9-19-42;1-52(2)41-20-8-6-16-36(41)39-30-40-37-17-7-10-22-44(37)55(47(40)31-42(39)52)46-24-12-19-38-49-35(18-13-25-48(49)56-50(38)46)32-26-28-33(29-27-32)51-53-43-21-9-11-23-45(43)54(51)34-14-4-3-5-15-34;1-52(2)41-20-8-6-16-36(41)39-31-47-40(30-42(39)52)37-17-7-10-22-44(37)55(47)46-24-12-19-38-49-35(18-13-25-48(49)56-50(38)46)32-26-28-34(29-27-32)54-45-23-11-9-21-43(45)53-51(54)33-14-4-3-5-15-33/h2*1-35H;2*3-31H,1-2H3 |
| InChIKey | IKNJYBQMFXUJRA-UHFFFAOYSA-N |
| XLogP | 56.70 |
| TPSA | 143.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 230 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2943.55 |
| LogP ≤ 5 | 56.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |