C310H200N6O3S3 — CID 164966270
N-(2-dibenzofuran-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-dibenzofuran-4-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine;N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 164966270) has the molecular formula C310H200N6O3S3 and a molecular weight of 4153.25 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-dibenzofuran-4-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine;N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-(2-dibenzofuran-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-dibenzofuran-4-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine;N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 164966270 |
| Molecular Formula | C310H200N6O3S3 |
| Molecular Weight | 4153.25 g/mol |
| Exact Mass | 4149.48 |
| IUPAC Name | N-(2-dibenzofuran-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-dibenzofuran-4-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine;N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine |
| SMILES | CC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3oc3ccccc34)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3sc3ccccc34)c3cccc4c3sc3ccccc34)cc21 |
| InChI | InChI=1S/C58H41N.C56H39N.C49H29NO2.C49H31NO.C49H29NS2.C49H31NS/c1-57(2)54-35-41(40-27-25-39(26-28-40)38-15-5-3-6-16-38)29-32-48(54)49-33-30-43(36-55(49)57)59(42-17-7-4-8-18-42)44-31-34-50-47-21-11-14-24-53(47)58(56(50)37-44)51-22-12-9-19-45(51)46-20-10-13-23-52(46)58;1-55(2)52-33-39(38-25-24-36-14-6-7-15-37(36)32-38)26-29-46(52)47-30-27-41(34-53(47)55)57(40-16-4-3-5-17-40)42-28-31-48-45-20-10-13-23-51(45)56(54(48)35-42)49-21-11-8-18-43(49)44-19-9-12-22-50(44)56;1-6-20-39-31(13-1)32-14-2-7-21-40(32)49(39)41-22-8-3-15-33(41)34-28-27-30(29-42(34)49)50(43-23-11-18-37-35-16-4-9-25-45(35)51-47(37)43)44-24-12-19-38-36-17-5-10-26-46(36)52-48(38)44;1-2-15-32(16-3-1)50(46-27-12-7-20-38(46)40-22-14-23-41-39-21-8-13-28-47(39)51-48(40)41)33-29-30-37-36-19-6-11-26-44(36)49(45(37)31-33)42-24-9-4-17-34(42)35-18-5-10-25-43(35)49;1-6-20-39-31(13-1)32-14-2-7-21-40(32)49(39)41-22-8-3-15-33(41)34-28-27-30(29-42(34)49)50(43-23-11-18-37-35-16-4-9-25-45(35)51-47(37)43)44-24-12-19-38-36-17-5-10-26-46(36)52-48(38)44;1-2-15-32(16-3-1)50(46-27-12-7-20-38(46)40-22-14-23-41-39-21-8-13-28-47(39)51-48(40)41)33-29-30-37-36-19-6-11-26-44(36)49(45(37)31-33)42-24-9-4-17-34(42)35-18-5-10-25-43(35)49/h3-37H,1-2H3;3-35H,1-2H3;1-29H;1-31H;1-29H;1-31H |
| InChIKey | CNCSEBSLBSGIFM-UHFFFAOYSA-N |
| XLogP | 83.90 |
| TPSA | 58.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 322 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4153.25 |
| LogP ≤ 5 | 83.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |