C181H109N15O3 — CID 165052487
5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole;5-[1-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole;5-[1-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 165052487) has the molecular formula C181H109N15O3 and a molecular weight of 2541.96 g/mol. Its IUPAC name is 5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole;5-[1-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole;5-[1-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.
| Compound Name | 5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole;5-[1-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole;5-[1-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole |
|---|---|
| PubChem CID | 165052487 |
| Molecular Formula | C181H109N15O3 |
| Molecular Weight | 2541.96 g/mol |
| Exact Mass | 2539.88 |
| IUPAC Name | 5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole;5-[1-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole;5-[1-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5oc6ccccc6c45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5oc6ccccc6c45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cccc6ccccc56)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)ccc6oc7ccccc7c56)n4)cccc32)cc1 |
| InChI | InChI=1S/2C61H37N5O.C59H35N5O/c1-3-17-38(18-4-1)39-21-15-22-42(35-39)59-62-60(47-28-16-31-51-56(47)45-26-10-13-30-50(45)65(51)43-23-5-2-6-24-43)64-61(63-59)58-52(33-34-55-57(58)46-27-11-14-32-54(46)67-55)66-49-29-12-9-25-44(49)48-36-40-19-7-8-20-41(40)37-53(48)66;1-3-16-38(17-4-1)39-30-32-40(33-31-39)59-62-60(47-25-15-28-51-56(47)45-23-10-13-27-50(45)65(51)43-20-5-2-6-21-43)64-61(63-59)58-52(34-35-55-57(58)46-24-11-14-29-54(46)67-55)66-49-26-12-9-22-44(49)48-36-41-18-7-8-19-42(41)37-53(48)66;1-2-20-39(21-3-1)63-48-29-12-9-24-43(48)54-45(27-15-30-49(54)63)58-60-57(42-26-14-19-36-16-6-7-22-40(36)42)61-59(62-58)56-50(32-33-53-55(56)44-25-10-13-31-52(44)65-53)64-47-28-11-8-23-41(47)46-34-37-17-4-5-18-38(37)35-51(46)64/h2*1-37H;1-35H |
| InChIKey | PWPZFHSBFXEYFN-UHFFFAOYSA-N |
| XLogP | 46.85 |
| TPSA | 185.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2541.96 |
| LogP ≤ 5 | 46.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |