C102H62N6O2 — CID 137391672
2-naphthalen-2-yl-4-[2-[3-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine (PubChem CID 137391672) has the molecular formula C102H62N6O2 and a molecular weight of 1403.66 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[2-[3-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine.
| Compound Name | 2-naphthalen-2-yl-4-[2-[3-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 137391672 |
| Molecular Formula | C102H62N6O2 |
| Molecular Weight | 1403.66 g/mol |
| Exact Mass | 1402.49 |
| IUPAC Name | 2-naphthalen-2-yl-4-[2-[3-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccccc5-c5nc(-c6cccc(-c7ccc8c(c7)C7(c9ccccc9O8)c8ccccc8-c8ccccc87)c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1 |
| InChI | InChI=1S/C102H62N6O2/c1-2-24-65(25-3-1)95-103-96(105-97(104-95)74-31-21-28-69(59-74)71-53-55-93-89(61-71)101(87-43-16-18-45-91(87)109-93)83-39-12-8-34-78(83)79-35-9-13-40-84(79)101)66-50-47-64(48-51-66)68-27-20-30-73(57-68)77-33-6-7-38-82(77)100-107-98(106-99(108-100)76-52-49-63-23-4-5-26-67(63)58-76)75-32-22-29-70(60-75)72-54-56-94-90(62-72)102(88-44-17-19-46-92(88)110-94)85-41-14-10-36-80(85)81-37-11-15-42-86(81)102/h1-62H |
| InChIKey | CDBYYSQYFKKYFF-UHFFFAOYSA-N |
| XLogP | 24.82 |
| TPSA | 95.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 110 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1403.66 |
| LogP ≤ 5 | 24.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |