C195H117N15 — CID 161449551
2-benzo[a]carbazol-11-yl-5-[2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-benzo[a]carbazol-11-yl-5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[7-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 161449551) has the molecular formula C195H117N15 and a molecular weight of 2670.19 g/mol. Its IUPAC name is 2-benzo[a]carbazol-11-yl-5-[2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-benzo[a]carbazol-11-yl-5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[7-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole.
| Compound Name | 2-benzo[a]carbazol-11-yl-5-[2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-benzo[a]carbazol-11-yl-5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[7-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole |
|---|---|
| PubChem CID | 161449551 |
| Molecular Formula | C195H117N15 |
| Molecular Weight | 2670.19 g/mol |
| Exact Mass | 2667.96 |
| IUPAC Name | 2-benzo[a]carbazol-11-yl-5-[2-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-benzo[a]carbazol-11-yl-5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[7-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole |
| SMILES | c1ccc(-c2nc(-c3cc(-n4c5cc(-n6c7ccccc7c7ccc8ccccc8c76)ccc5c5cc6ccccc6cc54)c4ccccc4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3ccc4ccccc4c3-n3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4c4cc5ccccc5cc43)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccc9ccccc9c87)c7ccccc7cc65)cc4c3)nc(-c3ccc4ccc5ccccc5c4c3)n2)cc1 |
| InChI | InChI=1S/3C65H39N5/c1-2-16-44(17-3-1)63-66-64(68-65(67-63)47-31-29-43-28-27-41-14-4-7-19-50(41)56(43)38-47)46-30-26-40-32-34-49(37-48(40)36-46)69-58-25-13-11-23-55(58)60-59(69)39-45-18-6-9-21-52(45)62(60)70-57-24-12-10-22-53(57)54-35-33-42-15-5-8-20-51(42)61(54)70;1-2-17-41(18-3-1)63-66-64(68-65(67-63)57-36-45-22-7-9-23-48(45)51-26-12-13-27-52(51)57)46-34-44-21-8-10-24-49(44)59(38-46)70-60-37-43-20-5-4-19-42(43)35-56(60)54-33-31-47(39-61(54)70)69-58-29-15-14-28-53(58)55-32-30-40-16-6-11-25-50(40)62(55)69;1-2-17-43(18-3-1)63-66-64(47-30-32-50-46(36-47)27-26-40-14-6-9-21-49(40)50)68-65(67-63)55-34-29-42-16-8-11-23-52(42)62(55)70-59-35-31-48(39-57(59)56-37-44-19-4-5-20-45(44)38-60(56)70)69-58-25-13-12-24-53(58)54-33-28-41-15-7-10-22-51(41)61(54)69/h3*1-39H |
| InChIKey | WAIQZIKMZCOGEG-UHFFFAOYSA-N |
| XLogP | 50.50 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2670.19 |
| LogP ≤ 5 | 50.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|