C331H234N12 — CID 163695786
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;4-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 163695786) has the molecular formula C331H234N12 and a molecular weight of 4379.60 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;4-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine.
| Compound Name | 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;4-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine |
|---|---|
| PubChem CID | 163695786 |
| Molecular Formula | C331H234N12 |
| Molecular Weight | 4379.60 g/mol |
| Exact Mass | 4375.87 |
| IUPAC Name | 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;4-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine |
| SMILES | CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3)cc21.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)n2)cc1 |
| InChI | InChI=1S/C50H37N.C49H36N2.4C47H32N2.C44H33N/c1-50(2)46-30-40(34-14-6-3-7-15-34)24-26-44(46)45-27-25-41(31-47(45)50)38-21-12-20-37(28-38)39-22-13-23-42(29-39)49-33-43(35-16-8-4-9-17-35)32-48(51-49)36-18-10-5-11-19-36;1-49(2)44-25-10-9-24-42(44)43-27-26-40(31-45(43)49)38-21-12-19-36(29-38)35-18-11-20-37(28-35)39-22-13-23-41(30-39)47-32-46(33-14-5-3-6-15-33)50-48(51-47)34-16-7-4-8-17-34;1-5-16-33(17-6-1)44-32-45(49-46(48-44)34-18-7-2-8-19-34)37-21-15-20-35(30-37)36-28-29-41-40-26-13-14-27-42(40)47(43(41)31-36,38-22-9-3-10-23-38)39-24-11-4-12-25-39;1-5-16-33(17-6-1)44-32-45(34-18-7-2-8-19-34)49-46(48-44)37-21-15-20-35(30-37)36-28-29-41-40-26-13-14-27-42(40)47(43(41)31-36,38-22-9-3-10-23-38)39-24-11-4-12-25-39;1-5-15-34(16-6-1)44-32-45(49-46(48-44)36-17-7-2-8-18-36)35-27-25-33(26-28-35)37-29-30-41-40-23-13-14-24-42(40)47(43(41)31-37,38-19-9-3-10-20-38)39-21-11-4-12-22-39;1-5-15-34(16-6-1)44-32-45(35-17-7-2-8-18-35)49-46(48-44)36-27-25-33(26-28-36)37-29-30-41-40-23-13-14-24-42(40)47(43(41)31-37,38-19-9-3-10-20-38)39-21-11-4-12-22-39;1-44(2)40-22-10-9-21-38(40)39-24-23-35(27-41(39)44)33-18-11-17-32(25-33)34-19-12-20-36(26-34)43-29-37(30-13-5-3-6-14-30)28-42(45-43)31-15-7-4-8-16-31/h3-33H,1-2H3;3-32H,1-2H3;4*1-32H;3-29H,1-2H3 |
| InChIKey | JWVGCWNMSURNGZ-UHFFFAOYSA-N |
| XLogP | 83.93 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 343 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4379.60 |
| LogP ≤ 5 | 83.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |