C171H129N9 — CID 159202142
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 159202142) has the molecular formula C171H129N9 and a molecular weight of 2309.98 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 159202142 |
| Molecular Formula | C171H129N9 |
| Molecular Weight | 2309.98 g/mol |
| Exact Mass | 2308.04 |
| IUPAC Name | 2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)-c7ccccc7C87CCCCC7)cc6)cc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cccc(-c7ccc8c(c7)-c7ccccc7C87CCCCC7)c6)cc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc(-c7ccc8c(c7)-c7ccccc7C87CCCCC7)cc6)c5)cc4)n3)cc2)cc1 |
| InChI | InChI=1S/3C57H43N3/c1-4-13-39(14-5-1)40-25-29-45(30-26-40)55-58-54(44-15-6-2-7-16-44)59-56(60-55)46-31-27-42(28-32-46)48-18-12-17-47(37-48)41-21-23-43(24-22-41)49-33-34-53-51(38-49)50-19-8-9-20-52(50)57(53)35-10-3-11-36-57;1-4-13-39(14-5-1)40-25-29-45(30-26-40)55-58-54(44-15-6-2-7-16-44)59-56(60-55)46-31-27-42(28-32-46)41-21-23-43(24-22-41)47-17-12-18-48(37-47)49-33-34-53-51(38-49)50-19-8-9-20-52(50)57(53)35-10-3-11-36-57;1-4-12-39(13-5-1)40-26-30-47(31-27-40)55-58-54(46-14-6-2-7-15-46)59-56(60-55)48-32-28-44(29-33-48)42-20-18-41(19-21-42)43-22-24-45(25-23-43)49-34-35-53-51(38-49)50-16-8-9-17-52(50)57(53)36-10-3-11-37-57/h2*1-2,4-9,12-34,37-38H,3,10-11,35-36H2;1-2,4-9,12-35,38H,3,10-11,36-37H2 |
| InChIKey | KPKRIUQXFTXEFG-UHFFFAOYSA-N |
| XLogP | 44.31 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 180 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2309.98 |
| LogP ≤ 5 | 44.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |