C177H123N9 — CID 158250945
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158250945) has the molecular formula C177H123N9 and a molecular weight of 2375.99 g/mol. Its IUPAC name is 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 158250945 |
| Molecular Formula | C177H123N9 |
| Molecular Weight | 2375.99 g/mol |
| Exact Mass | 2373.99 |
| IUPAC Name | 2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)cc32)c2ccccc21 |
| InChI | InChI=1S/3C59H41N3/c1-58(2)49-27-13-15-29-51(49)59(52-30-16-14-28-50(52)58)48-26-12-11-24-47(48)54-46(25-17-31-53(54)59)45-37-36-42(43-22-9-10-23-44(43)45)38-32-34-41(35-33-38)57-61-55(39-18-5-3-6-19-39)60-56(62-57)40-20-7-4-8-21-40;1-58(2)51-25-13-15-27-53(51)59(54-28-16-14-26-52(54)58)49-24-12-11-23-47(49)48-37-42(33-36-50(48)59)44-35-34-43(45-21-9-10-22-46(44)45)38-29-31-41(32-30-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40;1-58(2)50-25-13-15-27-52(50)59(53-28-16-14-26-51(53)58)49-24-12-11-23-47(49)48-34-33-42(37-54(48)59)44-36-35-43(45-21-9-10-22-46(44)45)38-29-31-41(32-30-38)57-61-55(39-17-5-3-6-18-39)60-56(62-57)40-19-7-4-8-20-40/h3*3-37H,1-2H3 |
| InChIKey | GGSAPYHSCHVYEA-UHFFFAOYSA-N |
| XLogP | 43.09 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 186 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2375.99 |
| LogP ≤ 5 | 43.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |