C286H190N12 — CID 160787308
3-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;3-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;3-[6-(9,9-dimethylfluoren-2-yl)phenanthren-3-yl]phenanthro[9,10-b]pyrazine;3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]phenanthro[9,10-b]pyrazine;3-[8-(9,9-dimethylfluoren-2-yl)phenanthren-1-yl]phenanthro[9,10-b]pyrazine;3-[11-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]phenanthro[9,10-b]pyrazine (PubChem CID 160787308) has the molecular formula C286H190N12 and a molecular weight of 3794.75 g/mol. Its IUPAC name is 3-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;3-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;3-[6-(9,9-dimethylfluoren-2-yl)phenanthren-3-yl]phenanthro[9,10-b]pyrazine;3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]phenanthro[9,10-b]pyrazine;3-[8-(9,9-dimethylfluoren-2-yl)phenanthren-1-yl]phenanthro[9,10-b]pyrazine;3-[11-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]phenanthro[9,10-b]pyrazine.
| Compound Name | 3-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;3-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;3-[6-(9,9-dimethylfluoren-2-yl)phenanthren-3-yl]phenanthro[9,10-b]pyrazine;3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]phenanthro[9,10-b]pyrazine;3-[8-(9,9-dimethylfluoren-2-yl)phenanthren-1-yl]phenanthro[9,10-b]pyrazine;3-[11-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]phenanthro[9,10-b]pyrazine |
|---|---|
| PubChem CID | 160787308 |
| Molecular Formula | C286H190N12 |
| Molecular Weight | 3794.75 g/mol |
| Exact Mass | 3791.52 |
| IUPAC Name | 3-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;3-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;3-[6-(9,9-dimethylfluoren-2-yl)phenanthren-3-yl]phenanthro[9,10-b]pyrazine;3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]phenanthro[9,10-b]pyrazine;3-[8-(9,9-dimethylfluoren-2-yl)phenanthren-1-yl]phenanthro[9,10-b]pyrazine;3-[11-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]phenanthro[9,10-b]pyrazine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5cnc6c7ccccc7c7ccccc7c6n5)c5ccccc5c4)cc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c5ccccc45)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(ccc5cc(-c6cnc7c8ccccc8c8ccccc8c7n6)ccc54)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccccc5c5ccc(-c6cnc7c8ccccc8c8ccccc8c7n6)cc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6cnc7c8ccccc8c8ccccc8c7n6)cc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3ccc3c(-c5cnc6c7ccccc7c7ccccc7c6n5)cccc34)cc21 |
| InChI | InChI=1S/2C51H34N2.C49H32N2.3C45H30N2/c1-51(2)46-22-12-11-19-40(46)41-24-23-33(29-47(41)51)44-27-34(25-31-13-3-5-15-36(31)44)35-26-32-14-4-6-16-37(32)45(28-35)48-30-52-49-42-20-9-7-17-38(42)39-18-8-10-21-43(39)50(49)53-48;1-51(2)46-22-12-11-19-41(46)42-24-23-31(29-47(42)51)32-25-26-39(34-14-4-3-13-33(32)34)40-27-28-43(36-16-6-5-15-35(36)40)48-30-52-49-44-20-9-7-17-37(44)38-18-8-10-21-45(38)50(49)53-48;1-49(2)44-18-10-9-15-38(44)39-24-20-30(27-45(39)49)29-19-22-36-32-11-3-4-12-33(32)37-23-21-31(26-43(37)42(36)25-29)46-28-50-47-40-16-7-5-13-34(40)35-14-6-8-17-41(35)48(47)51-46;1-45(2)40-20-8-7-13-35(40)36-22-21-27(25-41(36)45)28-16-9-17-29-30-18-10-19-37(34(30)24-23-33(28)29)42-26-46-43-38-14-5-3-11-31(38)32-12-4-6-15-39(32)44(43)47-42;1-45(2)40-14-8-7-11-36(40)37-22-18-28(25-41(37)45)27-17-20-32-29(23-27)15-16-30-24-31(19-21-33(30)32)42-26-46-43-38-12-5-3-9-34(38)35-10-4-6-13-39(35)44(43)47-42;1-45(2)40-14-8-7-11-34(40)35-22-21-30(25-41(35)45)29-19-17-27-15-16-28-18-20-31(24-39(28)38(27)23-29)42-26-46-43-36-12-5-3-9-32(36)33-10-4-6-13-37(33)44(43)47-42/h2*3-30H,1-2H3;3-28H,1-2H3;3*3-26H,1-2H3 |
| InChIKey | SBJKPRURXUJFCU-UHFFFAOYSA-N |
| XLogP | 75.78 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 298 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3794.75 |
| LogP ≤ 5 | 75.78 |
| 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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