C194H136N4 — CID 158465286
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 158465286) has the molecular formula C194H136N4 and a molecular weight of 2523.25 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine.
| Compound Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine |
|---|---|
| PubChem CID | 158465286 |
| Molecular Formula | C194H136N4 |
| Molecular Weight | 2523.25 g/mol |
| Exact Mass | 2521.08 |
| IUPAC Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine |
| SMILES | CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21 |
| InChI | InChI=1S/2C65H45N.C64H46N2/c1-63(2)53-29-14-9-26-48(53)51-40-44(36-38-54(51)63)66(45-37-39-59-52(41-45)49-27-12-15-30-55(49)64(59,42-20-5-3-6-21-42)43-22-7-4-8-23-43)61-35-19-34-60-62(61)50-28-13-18-33-58(50)65(60)56-31-16-10-24-46(56)47-25-11-17-32-57(47)65;1-63(2)53-29-14-9-24-46(53)50-38-36-45(41-60(50)63)66(44-37-39-58-52(40-44)49-27-12-15-30-54(49)64(58,42-20-5-3-6-21-42)43-22-7-4-8-23-43)61-35-19-34-59-62(61)51-28-13-18-33-57(51)65(59)55-31-16-10-25-47(55)48-26-11-17-32-56(48)65;1-63(2)57-28-13-9-24-51(57)53-38-36-50(42-60(53)63)65(47-34-32-43(33-35-47)44-18-17-23-48(40-44)66-61-30-15-11-26-54(61)55-27-12-16-31-62(55)66)49-37-39-59-56(41-49)52-25-10-14-29-58(52)64(59,45-19-5-3-6-20-45)46-21-7-4-8-22-46/h2*3-41H,1-2H3;3-42H,1-2H3 |
| InChIKey | HFRGKKGYSXDHRC-UHFFFAOYSA-N |
| XLogP | 48.93 |
| TPSA | 14.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 198 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2523.25 |
| LogP ≤ 5 | 48.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |