C214H124N16O2S4 — CID 163656238
11-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]naphtho[2,1-a]carbazole (PubChem CID 163656238) has the molecular formula C214H124N16O2S4 and a molecular weight of 3079.72 g/mol. Its IUPAC name is 11-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]naphtho[2,1-a]carbazole.
| Compound Name | 11-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]naphtho[2,1-a]carbazole |
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| PubChem CID | 163656238 |
| Molecular Formula | C214H124N16O2S4 |
| Molecular Weight | 3079.72 g/mol |
| Exact Mass | 3076.90 |
| IUPAC Name | 11-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole;11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]naphtho[2,1-a]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccc7c8ccccc8ccc7c65)cc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7ccc6c54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7ccc6c54)cc4c3sc3ccccc34)n2)cc1.c1ccc2cc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cc(-n5c6ccccc6c6ccc7c8ccccc8ccc7c65)cc5c4sc4ccccc45)n3)ccc2c1 |
| InChI | InChI=1S/C57H32N4OS.C53H30N4OS.C53H32N4S.C51H30N4S/c1-2-14-35-30-36(25-24-33(35)12-1)55-58-56(46-20-11-19-45-41-17-6-9-22-50(41)62-53(45)46)60-57(59-55)48-32-37(31-47-42-18-7-10-23-51(42)63-54(47)48)61-49-21-8-5-16-40(49)44-29-28-39-38-15-4-3-13-34(38)26-27-43(39)52(44)61;1-2-14-32(15-3-1)51-54-52(42-21-12-20-41-37-18-7-10-23-46(37)58-49(41)42)56-53(55-51)44-30-33(29-43-38-19-8-11-24-47(38)59-50(43)44)57-45-22-9-6-17-36(45)40-28-27-35-34-16-5-4-13-31(34)25-26-39(35)48(40)57;1-3-13-33(14-4-1)34-23-25-37(26-24-34)52-54-51(36-16-5-2-6-17-36)55-53(56-52)46-32-38(31-45-42-20-10-12-22-48(42)58-50(45)46)57-47-21-11-9-19-41(47)44-30-29-40-39-18-8-7-15-35(39)27-28-43(40)49(44)57;1-2-15-33(16-3-1)49-52-50(42-22-12-17-31-13-4-7-19-36(31)42)54-51(53-49)44-30-34(29-43-39-21-9-11-24-46(39)56-48(43)44)55-45-23-10-8-20-38(45)41-28-27-37-35-18-6-5-14-32(35)25-26-40(37)47(41)55/h1-32H;1-30H;1-32H;1-30H |
| InChIKey | IQLXDXLENZSHPK-UHFFFAOYSA-N |
| XLogP | 58.35 |
| TPSA | 200.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 236 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3079.72 |
| LogP ≤ 5 | 58.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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