C161H98N18 — CID 161196480
9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;9-(4-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole (PubChem CID 161196480) has the molecular formula C161H98N18 and a molecular weight of 2284.68 g/mol. Its IUPAC name is 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;9-(4-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole.
| Compound Name | 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;9-(4-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole |
|---|---|
| PubChem CID | 161196480 |
| Molecular Formula | C161H98N18 |
| Molecular Weight | 2284.68 g/mol |
| Exact Mass | 2282.82 |
| IUPAC Name | 9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;9-(4-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccccc5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-n3c4ccccc4c4ncccc43)n2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ncnc(-n4c5ccccc5c5ccccc54)n3)ccc21 |
| InChI | InChI=1S/C51H31N5.C39H24N4.C38H23N5.C33H20N4/c1-2-14-32(15-3-1)49-52-50(54-51(53-49)56-47-24-12-8-20-41(47)42-21-9-13-25-48(42)56)33-26-28-37-38-29-27-34(31-44(38)36-17-5-4-16-35(36)43(37)30-33)55-45-22-10-6-18-39(45)40-19-7-11-23-46(40)55;1-2-12-25(13-3-1)37-40-38(42-39(41-37)43-35-20-10-8-18-32(35)33-19-9-11-21-36(33)43)26-22-23-31-29-16-5-4-14-27(29)28-15-6-7-17-30(28)34(31)24-26;1-2-11-24(12-3-1)36-40-37(42-38(41-36)43-33-18-9-8-17-31(33)35-34(43)19-10-22-39-35)25-20-21-30-28-15-5-4-13-26(28)27-14-6-7-16-29(27)32(30)23-25;1-2-11-24-22(9-1)23-10-3-4-12-25(23)29-19-21(17-18-26(24)29)32-34-20-35-33(36-32)37-30-15-7-5-13-27(30)28-14-6-8-16-31(28)37/h1-31H;1-24H;1-23H;1-20H |
| InChIKey | UUKHOZLLCBXZPT-UHFFFAOYSA-N |
| XLogP | 39.87 |
| TPSA | 192.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2284.68 |
| LogP ≤ 5 | 39.87 |
| 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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