C163H103N15 — CID 162035332
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylbenzo[b]carbazole;1-carbazol-9-yl-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole (PubChem CID 162035332) has the molecular formula C163H103N15 and a molecular weight of 2271.72 g/mol. Its IUPAC name is 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylbenzo[b]carbazole;1-carbazol-9-yl-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole.
| Compound Name | 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylbenzo[b]carbazole;1-carbazol-9-yl-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole |
|---|---|
| PubChem CID | 162035332 |
| Molecular Formula | C163H103N15 |
| Molecular Weight | 2271.72 g/mol |
| Exact Mass | 2269.85 |
| IUPAC Name | 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylbenzo[b]carbazole;1-carbazol-9-yl-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc6ccccc6cc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5cc6ccccc6cc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5cc6ccccc6cc5c5c(-n6c7ccccc7c7ccccc76)cccc54)n3)c2)cc1 |
| InChI | InChI=1S/2C55H35N5.C53H33N5/c1-3-14-36(15-4-1)38-26-28-39(29-27-38)53-56-54(43-21-13-20-40(32-43)37-16-5-2-6-17-37)58-55(57-53)60-51-34-42-19-8-7-18-41(42)33-48(51)47-31-30-44(35-52(47)60)59-49-24-11-9-22-45(49)46-23-10-12-25-50(46)59;1-3-13-36(14-4-1)38-23-27-40(28-24-38)53-56-54(41-29-25-39(26-30-41)37-15-5-2-6-16-37)58-55(57-53)60-51-32-31-44(35-48(51)47-33-42-17-7-8-18-43(42)34-52(47)60)59-49-21-11-9-19-45(49)46-20-10-12-22-50(46)59;1-2-14-34(15-3-1)37-20-12-21-40(30-37)51-54-52(41-29-28-35-16-4-5-17-36(35)31-41)56-53(55-51)58-48-27-13-26-47(50(48)44-32-38-18-6-7-19-39(38)33-49(44)58)57-45-24-10-8-22-42(45)43-23-9-11-25-46(43)57/h2*1-35H;1-33H |
| InChIKey | YWOMYKZWFUILSA-UHFFFAOYSA-N |
| XLogP | 41.15 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2271.72 |
| LogP ≤ 5 | 41.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |