C312H218N6 — CID 159131149
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine (PubChem CID 159131149) has the molecular formula C312H218N6 and a molecular weight of 4051.22 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine.
| Compound Name | N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine |
|---|---|
| PubChem CID | 159131149 |
| Molecular Formula | C312H218N6 |
| Molecular Weight | 4051.22 g/mol |
| Exact Mass | 4047.72 |
| IUPAC Name | N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc21.CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21.CC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c21.CC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1 |
| InChI | InChI=1S/C58H41N.3C52H37N.2C49H33N/c1-57(2)51-20-10-6-16-45(51)49-34-33-44(37-56(49)57)59(42-29-24-39(25-30-42)38-14-4-3-5-15-38)43-31-26-40(27-32-43)41-28-35-55-50(36-41)48-19-9-13-23-54(48)58(55)52-21-11-7-17-46(52)47-18-8-12-22-53(47)58;1-51(2)43-27-10-6-23-39(43)41-25-15-31-47(49(41)51)53(36-20-14-19-35(33-36)34-17-4-3-5-18-34)48-32-16-26-42-40-24-9-13-30-46(40)52(50(42)48)44-28-11-7-21-37(44)38-22-8-12-29-45(38)52;1-51(2)42-26-10-6-23-39(42)40-25-15-32-48(50(40)51)53(36-20-14-19-35(33-36)34-17-4-3-5-18-34)47-31-16-30-46-49(47)41-24-9-13-29-45(41)52(46)43-27-11-7-21-37(43)38-22-8-12-28-44(38)52;1-51(2)43-24-10-6-20-39(43)41-22-14-28-47(49(41)51)53(36-32-30-35(31-33-36)34-16-4-3-5-17-34)48-29-15-23-42-40-21-9-13-27-46(40)52(50(42)48)44-25-11-7-18-37(44)38-19-8-12-26-45(38)52;1-3-14-34(15-4-1)36-26-30-38(31-27-36)50(39-32-28-37(29-33-39)35-16-5-2-6-17-35)47-25-13-21-43-42-20-9-12-24-46(42)49(48(43)47)44-22-10-7-18-40(44)41-19-8-11-23-45(41)49;1-3-13-34(14-4-1)36-23-27-38(28-24-36)50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-48-44(33-40)43-19-9-12-22-47(43)49(48)45-20-10-7-17-41(45)42-18-8-11-21-46(42)49/h3-37H,1-2H3;3*3-33H,1-2H3;2*1-33H |
| InChIKey | KGXISRYVCXLUMT-UHFFFAOYSA-N |
| XLogP | 81.23 |
| TPSA | 19.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 318 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4051.22 |
| LogP ≤ 5 | 81.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |