C242H194N12 — CID 158928148
9-[2-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole (PubChem CID 158928148) has the molecular formula C242H194N12 and a molecular weight of 3270.30 g/mol. Its IUPAC name is 9-[2-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole.
| Compound Name | 9-[2-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole |
|---|---|
| PubChem CID | 158928148 |
| Molecular Formula | C242H194N12 |
| Molecular Weight | 3270.30 g/mol |
| Exact Mass | 3267.55 |
| IUPAC Name | 9-[2-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole |
| SMILES | Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccccc2-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccccc2-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1 |
| InChI | InChI=1S/C88H74N4.C84H66N4.C70H54N4/c1-51-37-55(5)84(56(6)38-51)66-28-33-80-72(46-66)73-47-67(85-57(7)39-52(2)40-58(85)8)29-34-81(73)91(80)78-26-20-19-25-70(78)71-45-65(77-50-76(63-21-15-13-16-22-63)89-88(90-77)64-23-17-14-18-24-64)27-32-79(71)92-82-35-30-68(86-59(9)41-53(3)42-60(86)10)48-74(82)75-49-69(31-36-83(75)92)87-61(11)43-54(4)44-62(87)12;1-51-23-32-66(55(5)41-51)61-27-36-80-72(45-61)73-46-62(67-33-24-52(2)42-56(67)6)28-37-81(73)87(80)78-22-16-15-21-70(78)71-49-65(77-50-76(59-17-11-9-12-18-59)85-84(86-77)60-19-13-10-14-20-60)31-40-79(71)88-82-38-29-63(68-34-25-53(3)43-57(68)7)47-74(82)75-48-64(30-39-83(75)88)69-35-26-54(4)44-58(69)8;1-43-35-45(3)68(46(4)36-43)52-30-33-66-58(40-52)55-24-14-17-27-63(55)73(66)62-26-16-13-23-54(62)57-39-51(61-42-60(49-19-9-7-10-20-49)71-70(72-61)50-21-11-8-12-22-50)29-32-65(57)74-64-28-18-15-25-56(64)59-41-53(31-34-67(59)74)69-47(5)37-44(2)38-48(69)6/h13-50H,1-12H3;9-50H,1-8H3;7-42H,1-6H3 |
| InChIKey | JIRWQZTYUNJNDR-UHFFFAOYSA-N |
| XLogP | 64.71 |
| TPSA | 106.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 254 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3270.30 |
| LogP ≤ 5 | 64.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |