C210H129N27O3 — CID 158555095
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 158555095) has the molecular formula C210H129N27O3 and a molecular weight of 3078.53 g/mol. Its IUPAC name is 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
| Compound Name | 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole |
|---|---|
| PubChem CID | 158555095 |
| Molecular Formula | C210H129N27O3 |
| Molecular Weight | 3078.53 g/mol |
| Exact Mass | 3076.08 |
| IUPAC Name | 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3ccc(-c4cccc5oc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc5oc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5n(-c5ccc(-c6cccc7oc8ccccc8c67)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)n2)cc1 |
| InChI | InChI=1S/2C75H46N10O.C60H37N7O/c1-7-22-47(23-8-1)67-76-68(48-24-9-2-10-25-48)80-73(79-67)54-38-41-57-58-42-39-55(74-81-69(49-26-11-3-12-27-49)77-70(82-74)50-28-13-4-14-29-50)46-63(58)85(62(57)45-54)61-43-40-53(56-35-21-37-65-66(56)59-34-19-20-36-64(59)86-65)44-60(61)75-83-71(51-30-15-5-16-31-51)78-72(84-75)52-32-17-6-18-33-52;1-7-22-47(23-8-1)67-76-68(48-24-9-2-10-25-48)80-73(79-67)54-39-42-61-58(45-54)59-46-55(74-81-69(49-26-11-3-12-27-49)77-70(82-74)50-28-13-4-14-29-50)40-43-62(59)85(61)63-41-38-53(56-35-21-37-65-66(56)57-34-19-20-36-64(57)86-65)44-60(63)75-83-71(51-30-15-5-16-31-51)78-72(84-75)52-32-17-6-18-33-52;1-5-18-38(19-6-1)55-61-56(39-20-7-2-8-21-39)64-59(63-55)43-33-35-50-47(37-43)45-26-13-15-29-49(45)67(50)51-34-32-42(44-28-17-31-53-54(44)46-27-14-16-30-52(46)68-53)36-48(51)60-65-57(40-22-9-3-10-23-40)62-58(66-60)41-24-11-4-12-25-41/h2*1-46H;1-37H |
| InChIKey | HQEONKQPXZVCRB-UHFFFAOYSA-N |
| XLogP | 50.54 |
| TPSA | 363.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3078.53 |
| LogP ≤ 5 | 50.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |