C280H185N13 — CID 160696784
2-[4-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 160696784) has the molecular formula C280H185N13 and a molecular weight of 3731.65 g/mol. Its IUPAC name is 2-[4-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[4-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 160696784 |
| Molecular Formula | C280H185N13 |
| Molecular Weight | 3731.65 g/mol |
| Exact Mass | 3728.49 |
| IUPAC Name | 2-[4-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3cccc4ccccc34)c(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)cc3)cc21.CC1(C)c2ccccc2-c2cc(-c3cccc4ccccc34)c(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(cc4-c4cccc6ccccc46)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc6c(cc5-c5cccc7ccccc57)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc6c(cc5-c5cccc7ccccc57)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)c3)n2)cc1 |
| InChI | InChI=1S/2C62H39N3.C56H35N3.C53H38N2.C47H34N2/c1-3-18-43(19-4-1)59-63-60(44-20-5-2-6-21-44)65-61(64-59)46-24-15-23-45(37-46)40-33-35-42(36-34-40)52-39-58-54(38-53(52)48-29-16-22-41-17-7-8-25-47(41)48)51-28-11-14-32-57(51)62(58)55-30-12-9-26-49(55)50-27-10-13-31-56(50)62;1-3-17-44(18-4-1)59-63-60(45-19-5-2-6-20-45)65-61(64-59)46-36-32-41(33-37-46)40-30-34-43(35-31-40)52-39-58-54(38-53(52)48-26-15-21-42-16-7-8-22-47(42)48)51-25-11-14-29-57(51)62(58)55-27-12-9-23-49(55)50-24-10-13-28-56(50)62;1-3-17-38(18-4-1)53-57-54(39-19-5-2-6-20-39)59-55(58-53)40-32-30-37(31-33-40)46-35-52-48(34-47(46)42-26-15-21-36-16-7-8-22-41(36)42)45-25-11-14-29-51(45)56(52)49-27-12-9-23-43(49)44-24-10-13-28-50(44)56;1-53(2)48-23-12-11-21-44(48)47-32-46(43-22-13-19-37-14-9-10-20-42(37)43)45(33-49(47)53)38-28-24-35(25-29-38)36-26-30-41(31-27-36)52-54-50(39-15-5-3-6-16-39)34-51(55-52)40-17-7-4-8-18-40;1-47(2)42-23-12-11-21-38(42)41-28-40(37-22-13-19-31-14-9-10-20-36(31)37)39(29-43(41)47)32-24-26-35(27-25-32)46-48-44(33-15-5-3-6-16-33)30-45(49-46)34-17-7-4-8-18-34/h2*1-39H;1-35H;3-34H,1-2H3;3-30H,1-2H3 |
| InChIKey | RQCGKTUTAJBOSN-UHFFFAOYSA-N |
| XLogP | 70.65 |
| TPSA | 167.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 293 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3731.65 |
| LogP ≤ 5 | 70.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |