C219H136N18 — CID 158366423
3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 158366423) has the molecular formula C219H136N18 and a molecular weight of 3019.62 g/mol. Its IUPAC name is 3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole.
| Compound Name | 3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole |
|---|---|
| PubChem CID | 158366423 |
| Molecular Formula | C219H136N18 |
| Molecular Weight | 3019.62 g/mol |
| Exact Mass | 3017.12 |
| IUPAC Name | 3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5c4c3)n2)cc1 |
| InChI | InChI=1S/2C75H46N6.C69H44N6/c1-4-18-47(19-5-1)73-76-74(48-20-6-2-7-21-48)78-75(77-73)51-32-37-57-58-38-35-53(45-63(58)56-25-11-10-24-55(56)62(57)44-51)80-68-30-16-12-26-59(68)64-42-49(33-39-70(64)80)50-34-40-71-65(43-50)60-27-13-17-31-69(60)81(71)54-36-41-72-66(46-54)61-28-14-15-29-67(61)79(72)52-22-8-3-9-23-52;1-4-18-47(19-5-1)73-76-74(48-20-6-2-7-21-48)78-75(77-73)51-32-37-57-55-24-10-11-25-56(55)58-38-35-53(45-63(58)62(57)44-51)80-68-30-16-12-26-59(68)64-42-49(33-39-70(64)80)50-34-40-71-65(43-50)60-27-13-17-31-69(60)81(71)54-36-41-72-66(46-54)61-28-14-15-29-67(61)79(72)52-22-8-3-9-23-52;1-4-16-47(17-5-1)67-70-68(48-18-6-2-7-19-48)72-69(71-67)49-30-28-45(29-31-49)46-32-36-53(37-33-46)74-61-25-13-10-22-55(61)58-42-50(34-39-64(58)74)51-35-40-65-59(43-51)56-23-11-15-27-63(56)75(65)54-38-41-66-60(44-54)57-24-12-14-26-62(57)73(66)52-20-8-3-9-21-52/h2*1-46H;1-44H |
| InChIKey | GUBWXYUIAZLHJU-UHFFFAOYSA-N |
| XLogP | 56.08 |
| TPSA | 160.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 237 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3019.62 |
| LogP ≤ 5 | 56.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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