C198H140N4 — CID 159277713
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 159277713) has the molecular formula C198H140N4 and a molecular weight of 2575.33 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 159277713 |
| Molecular Formula | C198H140N4 |
| Molecular Weight | 2575.33 g/mol |
| Exact Mass | 2573.11 |
| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4ccccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21 |
| InChI | InChI=1S/C52H37N.2C50H35N.C46H33N/c1-51(2)45-20-10-6-16-39(45)43-30-28-37(32-49(43)51)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-44-42-19-9-13-23-48(42)52(50(44)33-38)46-21-11-7-17-40(46)41-18-8-12-22-47(41)52;1-49(2)42-21-9-5-17-36(42)40-28-26-33(30-46(40)49)51(48-25-13-15-32-14-3-4-16-35(32)48)34-27-29-41-39-20-8-12-24-45(39)50(47(41)31-34)43-22-10-6-18-37(43)38-19-7-11-23-44(38)50;1-49(2)43-19-9-5-15-37(43)41-27-25-35(30-47(41)49)51(34-24-23-32-13-3-4-14-33(32)29-34)36-26-28-42-40-18-8-12-22-46(40)50(48(42)31-36)44-20-10-6-16-38(44)39-17-7-11-21-45(39)50;1-45(2)39-20-10-6-16-33(39)37-26-24-31(28-43(37)45)47(30-14-4-3-5-15-30)32-25-27-38-36-19-9-13-23-42(36)46(44(38)29-32)40-21-11-7-17-34(40)35-18-8-12-22-41(35)46/h3-33H,1-2H3;2*3-31H,1-2H3;3-29H,1-2H3 |
| InChIKey | KYNFVNYVGODIQK-UHFFFAOYSA-N |
| XLogP | 51.20 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 202 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2575.33 |
| LogP ≤ 5 | 51.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |