C204H135N3 — CID 159940117
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 159940117) has the molecular formula C204H135N3 and a molecular weight of 2628.34 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 159940117 |
| Molecular Formula | C204H135N3 |
| Molecular Weight | 2628.34 g/mol |
| Exact Mass | 2626.07 |
| IUPAC Name | N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine |
| SMILES | c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2cccc(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c2)cc1.c1ccc(-c2ccccc2-c2cccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1 |
| InChI | InChI=1S/3C68H45N/c1-4-20-46(21-5-1)47-36-38-48(39-37-47)53-26-14-19-35-66(53)69(51-41-43-64-59(44-51)57-30-13-15-31-60(57)67(64,49-22-6-2-7-23-49)50-24-8-3-9-25-50)52-40-42-58-56-29-12-18-34-63(56)68(65(58)45-52)61-32-16-10-27-54(61)55-28-11-17-33-62(55)68;1-4-20-46(21-5-1)47-22-18-23-48(42-47)49-24-19-29-52(43-49)69(53-39-41-65-60(44-53)58-33-13-14-34-61(58)67(65,50-25-6-2-7-26-50)51-27-8-3-9-28-51)54-38-40-59-57-32-12-17-37-64(57)68(66(59)45-54)62-35-15-10-30-55(62)56-31-11-16-36-63(56)68;1-4-21-46(22-5-1)53-29-10-11-30-54(53)47-23-20-28-50(43-47)69(51-40-42-65-60(44-51)58-34-15-16-35-61(58)67(65,48-24-6-2-7-25-48)49-26-8-3-9-27-49)52-39-41-59-57-33-14-19-38-64(57)68(66(59)45-52)62-36-17-12-31-55(62)56-32-13-18-37-63(56)68/h3*1-45H |
| InChIKey | OATPGSDDULVDIQ-UHFFFAOYSA-N |
| XLogP | 51.59 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 207 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2628.34 |
| LogP ≤ 5 | 51.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |