C220H148N8O2S2 — CID 160695196
N-[4-(9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2'-phenoxazin-10-yl-N-phenyl-9,9'-spirobi[fluorene]-4-amine;4-phenothiazin-10-yl-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;2'-phenoxazin-10-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 160695196) has the molecular formula C220H148N8O2S2 and a molecular weight of 2999.79 g/mol. Its IUPAC name is N-[4-(9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2'-phenoxazin-10-yl-N-phenyl-9,9'-spirobi[fluorene]-4-amine;4-phenothiazin-10-yl-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;2'-phenoxazin-10-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-4-amine.
| Compound Name | N-[4-(9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2'-phenoxazin-10-yl-N-phenyl-9,9'-spirobi[fluorene]-4-amine;4-phenothiazin-10-yl-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;2'-phenoxazin-10-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-4-amine |
|---|---|
| PubChem CID | 160695196 |
| Molecular Formula | C220H148N8O2S2 |
| Molecular Weight | 2999.79 g/mol |
| Exact Mass | 2997.12 |
| IUPAC Name | N-[4-(9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2'-phenoxazin-10-yl-N-phenyl-9,9'-spirobi[fluorene]-4-amine;4-phenothiazin-10-yl-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;2'-phenoxazin-10-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-4-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(N5c6ccccc6Oc6ccccc65)cc43)cc21.CC1(C)c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc32)c2ccccc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N5c6ccccc6Sc6ccccc65)cccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc32)cc1 |
| InChI | InChI=1S/C58H40N2O.C58H40N2S.C55H36N2S.C49H32N2O/c1-57(2)45-22-9-6-19-40(45)42-33-31-38(35-49(42)57)59(37-17-4-3-5-18-37)53-28-16-25-48-56(53)44-21-8-11-24-47(44)58(48)46-23-10-7-20-41(46)43-34-32-39(36-50(43)58)60-51-26-12-14-29-54(51)61-55-30-15-13-27-52(55)60;1-57(2)47-24-11-13-27-51(47)60(52-28-14-12-25-48(52)57)53-29-16-26-49-56(53)44-21-7-10-23-46(44)58(49)45-22-9-6-19-40(45)41-33-31-38(35-50(41)58)59(37-17-4-3-5-18-37)39-32-34-43-42-20-8-15-30-54(42)61-55(43)36-39;1-3-16-37(17-4-1)38-30-32-40(33-31-38)56(39-18-5-2-6-19-39)41-34-35-43-42-20-7-9-22-45(42)55(48(43)36-41)46-23-10-8-21-44(46)54-47(55)24-15-27-51(54)57-49-25-11-13-28-52(49)58-53-29-14-12-26-50(53)57;1-3-16-33(17-4-1)50(34-18-5-2-6-19-34)45-27-15-24-41-48(45)38-21-8-10-23-40(38)49(41)39-22-9-7-20-36(39)37-31-30-35(32-42(37)49)51-43-25-11-13-28-46(43)52-47-29-14-12-26-44(47)51/h2*3-36H,1-2H3;1-36H;1-32H |
| InChIKey | RPXDYIOQVZZWOF-UHFFFAOYSA-N |
| XLogP | 59.54 |
| TPSA | 44.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 232 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2999.79 |
| LogP ≤ 5 | 59.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |