C204H135N3 — CID 160756851
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 160756851) 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]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
| Compound Name | N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine |
|---|---|
| PubChem CID | 160756851 |
| 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]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine |
| SMILES | c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2cccc(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1.c1ccc(-c2ccccc2-c2cccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1 |
| InChI | InChI=1S/3C68H45N/c1-4-21-46(22-5-1)47-39-41-48(42-40-47)52-27-14-19-37-64(52)69(51-43-44-62-57(45-51)55-30-12-15-32-58(55)67(62,49-23-6-2-7-24-49)50-25-8-3-9-26-50)65-38-20-36-63-66(65)56-31-13-18-35-61(56)68(63)59-33-16-10-28-53(59)54-29-11-17-34-60(54)68;1-4-21-46(22-5-1)47-23-18-24-48(43-47)49-25-19-30-52(44-49)69(53-41-42-63-58(45-53)56-33-12-14-35-59(56)67(63,50-26-6-2-7-27-50)51-28-8-3-9-29-51)65-40-20-39-64-66(65)57-34-13-17-38-62(57)68(64)60-36-15-10-31-54(60)55-32-11-16-37-61(55)68;1-4-22-46(23-5-1)52-30-10-11-31-53(52)47-24-20-29-50(44-47)69(51-42-43-63-58(45-51)56-34-14-16-36-59(56)67(63,48-25-6-2-7-26-48)49-27-8-3-9-28-49)65-41-21-40-64-66(65)57-35-15-19-39-62(57)68(64)60-37-17-12-32-54(60)55-33-13-18-38-61(55)68/h3*1-45H |
| InChIKey | RXNVJMGWALQBTM-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 |