C289H189N5OS — CID 157164513
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]triphenylene;N,N-diphenyltriphenylen-2-amine;N-naphthalen-2-yl-N-phenyltriphenylen-2-amine;9-phenyl-3-triphenylen-2-ylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;9-(4-triphenylen-2-ylphenyl)carbazole;4-(3-triphenylen-2-ylphenyl)dibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene (PubChem CID 157164513) has the molecular formula C289H189N5OS and a molecular weight of 3779.79 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]triphenylene;N,N-diphenyltriphenylen-2-amine;N-naphthalen-2-yl-N-phenyltriphenylen-2-amine;9-phenyl-3-triphenylen-2-ylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;9-(4-triphenylen-2-ylphenyl)carbazole;4-(3-triphenylen-2-ylphenyl)dibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene.
| Compound Name | 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]triphenylene;N,N-diphenyltriphenylen-2-amine;N-naphthalen-2-yl-N-phenyltriphenylen-2-amine;9-phenyl-3-triphenylen-2-ylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;9-(4-triphenylen-2-ylphenyl)carbazole;4-(3-triphenylen-2-ylphenyl)dibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene |
|---|---|
| PubChem CID | 157164513 |
| Molecular Formula | C289H189N5OS |
| Molecular Weight | 3779.79 g/mol |
| Exact Mass | 3776.46 |
| IUPAC Name | 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]triphenylene;N,N-diphenyltriphenylen-2-amine;N-naphthalen-2-yl-N-phenyltriphenylen-2-amine;9-phenyl-3-triphenylen-2-ylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;9-(4-triphenylen-2-ylphenyl)carbazole;4-(3-triphenylen-2-ylphenyl)dibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21 |
| InChI | InChI=1S/C42H27N.C39H28.2C36H23N.C36H22O.C36H22S.C34H23N.C30H21N/c1-2-13-32(14-3-1)43-41-20-9-8-19-38(41)40-27-31(22-24-42(40)43)29-12-10-11-28(25-29)30-21-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)26-30;1-39(2)37-17-8-7-16-34(37)35-21-19-28(24-38(35)39)26-11-9-10-25(22-26)27-18-20-33-31-14-4-3-12-29(31)30-13-5-6-15-32(30)36(33)23-27;1-2-11-29-27(9-1)28-10-3-4-12-30(28)34-23-25(19-22-31(29)34)24-17-20-26(21-18-24)37-35-15-7-5-13-32(35)33-14-6-8-16-36(33)37;1-2-10-26(11-3-1)37-35-17-9-8-16-32(35)34-23-25(19-21-36(34)37)24-18-20-31-29-14-5-4-12-27(29)28-13-6-7-15-30(28)33(31)22-24;2*1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;1-2-12-26(13-3-1)35(27-19-18-24-10-4-5-11-25(24)22-27)28-20-21-33-31-16-7-6-14-29(31)30-15-8-9-17-32(30)34(33)23-28;1-3-11-22(12-4-1)31(23-13-5-2-6-14-23)24-19-20-29-27-17-8-7-15-25(27)26-16-9-10-18-28(26)30(29)21-24/h1-27H;3-24H,1-2H3;2*1-23H;2*1-22H;1-23H;1-21H |
| InChIKey | AMTGQGABXKNFEG-UHFFFAOYSA-N |
| XLogP | 81.80 |
| TPSA | 34.41 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 296 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3779.79 |
| LogP ≤ 5 | 81.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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