C250H200N18 — CID 159080748
9-[4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(3,5-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (PubChem CID 159080748) has the molecular formula C250H200N18 and a molecular weight of 3456.48 g/mol. Its IUPAC name is 9-[4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(3,5-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.
| Compound Name | 9-[4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(3,5-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole |
|---|---|
| PubChem CID | 159080748 |
| Molecular Formula | C250H200N18 |
| Molecular Weight | 3456.48 g/mol |
| Exact Mass | 3453.62 |
| IUPAC Name | 9-[4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(3,5-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole |
| SMILES | Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccncc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccncc2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccncc2-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1 |
| InChI | InChI=1S/C86H72N6.2C82H64N6/c1-49-35-53(5)80(54(6)36-49)63-23-28-75-70(43-63)71-44-64(81-55(7)37-50(2)38-56(81)8)24-29-76(71)91(75)74-32-27-67(86-89-84(61-19-15-13-16-20-61)88-85(90-86)62-21-17-14-18-22-62)47-69(74)68-33-34-87-48-79(68)92-77-30-25-65(82-57(9)39-51(3)40-58(82)10)45-72(77)73-46-66(26-31-78(73)92)83-59(11)41-52(4)42-60(83)12;1-49-19-28-64(53(5)39-49)59-23-32-75-70(43-59)71-44-60(65-29-20-50(2)40-54(65)6)24-33-76(71)87(75)74-36-27-63(82-85-80(57-15-11-9-12-16-57)84-81(86-82)58-17-13-10-14-18-58)47-69(74)68-37-38-83-48-79(68)88-77-34-25-61(66-30-21-51(3)41-55(66)7)45-72(77)73-46-62(26-35-78(73)88)67-31-22-52(4)42-56(67)8;1-49-31-50(2)36-64(35-49)59-19-24-75-70(43-59)71-44-60(65-37-51(3)32-52(4)38-65)20-25-76(71)87(75)74-28-23-63(82-85-80(57-15-11-9-12-16-57)84-81(86-82)58-17-13-10-14-18-58)47-69(74)68-29-30-83-48-79(68)88-77-26-21-61(66-39-53(5)33-54(6)40-66)45-72(77)73-46-62(22-27-78(73)88)67-41-55(7)34-56(8)42-67/h13-48H,1-12H3;2*9-48H,1-8H3 |
| InChIKey | KAVAAEBRVDPHLM-UHFFFAOYSA-N |
| XLogP | 65.03 |
| TPSA | 184.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 268 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3456.48 |
| LogP ≤ 5 | 65.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |