C185H113N15 — CID 158213992
9-benzo[a]carbazol-11-yl-5-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;9-benzo[a]carbazol-11-yl-5-[8-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole (PubChem CID 158213992) has the molecular formula C185H113N15 and a molecular weight of 2546.04 g/mol. Its IUPAC name is 9-benzo[a]carbazol-11-yl-5-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;9-benzo[a]carbazol-11-yl-5-[8-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole.
| Compound Name | 9-benzo[a]carbazol-11-yl-5-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;9-benzo[a]carbazol-11-yl-5-[8-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole |
|---|---|
| PubChem CID | 158213992 |
| Molecular Formula | C185H113N15 |
| Molecular Weight | 2546.04 g/mol |
| Exact Mass | 2543.93 |
| IUPAC Name | 9-benzo[a]carbazol-11-yl-5-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;9-benzo[a]carbazol-11-yl-5-[8-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccc%10ccccc%10c98)ccc7cc65)cc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c(-n5c6ccccc6c6c(-n7c8ccccc8c8ccc9ccccc9c87)c7ccccc7cc65)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccc%10ccccc%10c98)ccc7cc65)cc34)n2)cc1 |
| InChI | InChI=1S/C63H39N5.2C61H37N5/c1-3-16-40(17-4-1)48-22-9-10-26-53(48)62-64-61(43-19-5-2-6-20-43)65-63(66-62)54-27-15-21-42-30-33-47(39-55(42)54)67-57-28-13-12-25-51(57)56-37-45-36-46(34-31-44(45)38-59(56)67)68-58-29-14-11-24-50(58)52-35-32-41-18-7-8-23-49(41)60(52)68;1-2-19-40(20-3-1)59-62-60(49-30-14-22-38-17-4-7-23-42(38)49)64-61(63-59)50-31-15-29-46-45(50)28-16-34-52(46)65-54-33-13-11-27-51(54)56-55(65)37-41-21-6-9-25-44(41)58(56)66-53-32-12-10-26-47(53)48-36-35-39-18-5-8-24-43(39)57(48)66;1-2-15-41(16-3-1)59-62-60(44-26-25-38-13-4-5-17-42(38)33-44)64-61(63-59)52-22-12-18-40-27-30-47(37-53(40)52)65-55-23-10-9-21-50(55)54-35-45-34-46(31-28-43(45)36-57(54)65)66-56-24-11-8-20-49(56)51-32-29-39-14-6-7-19-48(39)58(51)66/h1-39H;2*1-37H |
| InChIKey | GCKLZIOCSTZKCF-UHFFFAOYSA-N |
| XLogP | 47.55 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2546.04 |
| LogP ≤ 5 | 47.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |