C242H150N6 — CID 160885222
9-phenyl-2-(2-triphenylen-2-ylcarbazol-9-yl)carbazole;9-phenyl-2-[3-[2-(3-triphenylen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole;9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole (PubChem CID 160885222) has the molecular formula C242H150N6 and a molecular weight of 3141.90 g/mol. Its IUPAC name is 9-phenyl-2-(2-triphenylen-2-ylcarbazol-9-yl)carbazole;9-phenyl-2-[3-[2-(3-triphenylen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole;9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole.
| Compound Name | 9-phenyl-2-(2-triphenylen-2-ylcarbazol-9-yl)carbazole;9-phenyl-2-[3-[2-(3-triphenylen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole;9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole |
|---|---|
| PubChem CID | 160885222 |
| Molecular Formula | C242H150N6 |
| Molecular Weight | 3141.90 g/mol |
| Exact Mass | 3139.19 |
| IUPAC Name | 9-phenyl-2-(2-triphenylen-2-ylcarbazol-9-yl)carbazole;9-phenyl-2-[3-[2-(3-triphenylen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole;9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole |
| SMILES | c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c3c2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3c2)c1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6ccc(-c7cccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cc65)c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc54)cc32)cc1 |
| InChI | InChI=1S/2C67H41N.C60H38N2.C48H30N2/c1-2-19-51-49(17-1)50-18-3-4-20-52(50)59-40-45(33-37-53(51)59)43-15-13-16-44(39-43)46-34-38-57-56-23-8-12-30-64(56)68(65(57)41-46)47-35-31-42(32-36-47)48-25-14-29-63-66(48)58-24-7-11-28-62(58)67(63)60-26-9-5-21-54(60)55-22-6-10-27-61(55)67;1-2-18-51-49(16-1)50-17-3-4-19-52(50)60-39-45(30-35-53(51)60)43-14-13-15-44(38-43)47-32-37-59-58-23-8-12-27-65(58)68(66(59)41-47)48-33-28-42(29-34-48)46-31-36-57-56-22-7-11-26-63(56)67(64(57)40-46)61-24-9-5-20-54(61)55-21-6-10-25-62(55)67;1-2-17-45(18-3-1)61-57-26-10-8-24-52(57)54-33-30-44(38-59(54)61)41-16-13-19-46(35-41)62-58-27-11-9-25-53(58)55-32-29-43(37-60(55)62)40-15-12-14-39(34-40)42-28-31-51-49-22-5-4-20-47(49)48-21-6-7-23-50(48)56(51)36-42;1-2-12-33(13-3-1)49-45-20-10-8-19-41(45)43-27-24-34(30-48(43)49)50-46-21-11-9-18-40(46)42-26-23-32(29-47(42)50)31-22-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)44(39)28-31/h2*1-41H;1-38H;1-30H |
| InChIKey | SNNXAJOKYWQLPX-UHFFFAOYSA-N |
| XLogP | 64.52 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 248 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3141.90 |
| LogP ≤ 5 | 64.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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