C156H102N12 — CID 159086345
8-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline;6-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenanthridine (PubChem CID 159086345) has the molecular formula C156H102N12 and a molecular weight of 2144.62 g/mol. Its IUPAC name is 8-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline;6-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenanthridine.
| Compound Name | 8-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline;6-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenanthridine |
|---|---|
| PubChem CID | 159086345 |
| Molecular Formula | C156H102N12 |
| Molecular Weight | 2144.62 g/mol |
| Exact Mass | 2142.84 |
| IUPAC Name | 8-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline;6-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenanthridine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6ccc(-c7cc8cccnc8c8ccccc78)cc6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(c7)ncc7ccccc78)c6)c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(ccc9ccncc98)c7)c6)c5)c4)n3)cc2)cc1 |
| InChI | InChI=1S/3C52H34N4/c1-3-10-35(11-4-1)36-20-23-39(24-21-36)51-54-50(38-12-5-2-6-13-38)55-52(56-51)47-19-9-18-44(33-47)42-16-7-14-40(30-42)41-15-8-17-43(31-41)45-26-27-48-46(32-45)25-22-37-28-29-53-34-49(37)48;1-3-12-35(13-4-1)36-24-26-38(27-25-36)51-54-50(37-14-5-2-6-15-37)55-52(56-51)45-22-11-21-43(32-45)41-19-9-17-39(30-41)40-18-10-20-42(31-40)44-28-29-48-47-23-8-7-16-46(47)34-53-49(48)33-44;1-3-11-35(12-4-1)36-26-30-42(31-27-36)51-54-50(41-13-5-2-6-14-41)55-52(56-51)45-16-9-15-43(33-45)39-22-20-37(21-23-39)38-24-28-40(29-25-38)48-34-44-17-10-32-53-49(44)47-19-8-7-18-46(47)48/h3*1-34H |
| InChIKey | KBMJPGCKTLWPPX-UHFFFAOYSA-N |
| XLogP | 39.73 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2144.62 |
| LogP ≤ 5 | 39.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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