C210H141N21 — CID 159690378
2-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzonitrile;2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-phenylbenzimidazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159690378) has the molecular formula C210H141N21 and a molecular weight of 2958.58 g/mol. Its IUPAC name is 2-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzonitrile;2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-phenylbenzimidazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzonitrile;2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-phenylbenzimidazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine |
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| PubChem CID | 159690378 |
| Molecular Formula | C210H141N21 |
| Molecular Weight | 2958.58 g/mol |
| Exact Mass | 2956.17 |
| IUPAC Name | 2-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzonitrile;2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-phenylbenzimidazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc5ccccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc21.N#Cc1ccccc1-c1ccc(-c2ccc3ccccc3c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1cccc2c1C(C)(C)c1cc(-c3ccc(-c4ccc5ccccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1-2.c1ccc(-c2ccc(-c3ccc4ccccc4c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc4ccccc34)n2)cc1 |
| InChI | InChI=1S/C47H32N4.C46H33N3.C44H29N5.C38H24N4.C35H23N5/c1-47(2)40-29-35(26-28-38(40)39-19-12-20-41(48-3)43(39)47)30-21-23-32(24-22-30)37-27-25-31-13-10-11-18-36(31)42(37)46-50-44(33-14-6-4-7-15-33)49-45(51-46)34-16-8-5-9-17-34;1-46(2)39-22-12-11-20-38(39)41-35(21-13-23-40(41)46)31-24-26-32(27-25-31)37-29-28-30-14-9-10-19-36(30)42(37)45-48-43(33-15-5-3-6-16-33)47-44(49-45)34-17-7-4-8-18-34;1-4-15-32(16-5-1)41-46-42(33-17-6-2-7-18-33)48-43(47-41)40-36-21-11-10-14-30(36)28-29-37(40)31-24-26-34(27-25-31)44-45-38-22-12-13-23-39(38)49(44)35-19-8-3-9-20-35;39-25-31-16-8-9-17-32(31)27-19-21-28(22-20-27)34-24-23-26-11-7-10-18-33(26)35(34)38-41-36(29-12-3-1-4-13-29)40-37(42-38)30-14-5-2-6-15-30;1-4-13-25(14-5-1)30-22-23-31(40-39-30)29-21-20-24-12-10-11-19-28(24)32(29)35-37-33(26-15-6-2-7-16-26)36-34(38-35)27-17-8-3-9-18-27/h4-29H,1-2H3;3-29H,1-2H3;1-29H;1-24H;1-23H |
| InChIKey | MWIHUIIPUDFMFC-UHFFFAOYSA-N |
| XLogP | 51.96 |
| TPSA | 265.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 231 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2958.58 |
| LogP ≤ 5 | 51.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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