C212H130N20 — CID 165024798
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline (PubChem CID 165024798) has the molecular formula C212H130N20 and a molecular weight of 2957.51 g/mol. Its IUPAC name is 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline.
| Compound Name | 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline |
|---|---|
| PubChem CID | 165024798 |
| Molecular Formula | C212H130N20 |
| Molecular Weight | 2957.51 g/mol |
| Exact Mass | 2955.08 |
| IUPAC Name | 5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6ccc7ccc(-c8ccc9ccccc9c8)nc7c56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5ccc6ccc(-c7ccc8ccccc8c7)nc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7c7ccc8ccc(-c9ccc%10ccccc%10c9)nc8c67)cc5)ccc4c3)n2)cc1.c1ccc2cc(-c3ccc4ccc5c6ccccc6nc(-c6ccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9ccccc9c8)n7)cc6)c5c4n3)ccc2c1 |
| InChI | InChI=1S/C57H35N5.C55H33N5.C53H33N5.C47H29N5/c1-3-12-40(13-4-1)55-60-56(41-14-5-2-6-15-41)62-57(61-55)47-28-26-44-33-43(24-25-45(44)35-47)37-19-22-38(23-20-37)54-52-49(48-17-9-10-18-51(48)59-54)31-29-39-30-32-50(58-53(39)52)46-27-21-36-11-7-8-16-42(36)34-46;1-4-12-40-31-43(24-17-34(40)9-1)48-30-28-38-27-29-47-46-15-7-8-16-49(46)57-52(50(47)51(38)56-48)37-20-22-39(23-21-37)53-58-54(44-25-18-35-10-2-5-13-41(35)32-44)60-55(59-53)45-26-19-36-11-3-6-14-42(36)33-45;1-3-12-39(13-4-1)51-56-52(40-14-5-2-6-15-40)58-53(57-51)41-26-21-36(22-27-41)35-19-24-37(25-20-35)50-48-45(44-17-9-10-18-47(44)55-50)31-29-38-30-32-46(54-49(38)48)43-28-23-34-11-7-8-16-42(34)33-43;1-3-12-33(13-4-1)45-50-46(34-14-5-2-6-15-34)52-47(51-45)35-22-20-31(21-23-35)44-42-39(38-17-9-10-18-41(38)49-44)27-25-32-26-28-40(48-43(32)42)37-24-19-30-11-7-8-16-36(30)29-37/h1-35H;1-33H;1-33H;1-29H |
| InChIKey | LRZIRCWOVZVDME-UHFFFAOYSA-N |
| XLogP | 53.23 |
| TPSA | 257.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 232 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2957.51 |
| LogP ≤ 5 | 53.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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