C234H164N4S4 — CID 158728666
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 158728666) has the molecular formula C234H164N4S4 and a molecular weight of 3160.18 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.
| Compound Name | N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine |
|---|---|
| PubChem CID | 158728666 |
| Molecular Formula | C234H164N4S4 |
| Molecular Weight | 3160.18 g/mol |
| Exact Mass | 3157.18 |
| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C)(C)c4ccccc43)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)cc32)c2ccccc21.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4c3sc3ccccc34)cc2)cc1 |
| InChI | InChI=1S/C65H45NS.C62H41NS.C55H41NS.C52H37NS/c1-63(2)51-27-12-9-24-46(51)48-38-36-44(40-57(48)63)66(59-33-19-35-61-62(59)50-26-11-18-34-60(50)67-61)45-37-39-49-47-25-10-13-28-52(47)65(58(49)41-45)55-31-16-14-29-53(55)64(42-20-5-3-6-21-42,43-22-7-4-8-23-43)54-30-15-17-32-56(54)65;1-4-19-42(20-5-1)43-35-37-46(38-36-43)63(58-33-18-27-51-50-26-11-17-34-59(50)64-60(51)58)47-39-40-49-48-25-10-12-28-52(48)62(57(49)41-47)55-31-15-13-29-53(55)61(44-21-6-2-7-22-44,45-23-8-3-9-24-45)54-30-14-16-32-56(54)62;1-53(2)41-19-8-5-16-36(41)38-30-28-34(32-47(38)53)56(49-25-15-27-51-52(49)40-18-7-14-26-50(40)57-51)35-29-31-39-37-17-6-9-20-42(37)55(48(39)33-35)45-23-12-10-21-43(45)54(3,4)44-22-11-13-24-46(44)55;1-51(2)43-21-9-11-23-45(43)52(46-24-12-10-22-44(46)51)42-20-8-6-17-38(42)39-32-31-37(33-47(39)52)53(36-29-27-35(28-30-36)34-15-4-3-5-16-34)48-25-14-19-41-40-18-7-13-26-49(40)54-50(41)48/h3-41H,1-2H3;1-41H;5-33H,1-4H3;3-33H,1-2H3 |
| InChIKey | IKVBODJZEXDKJR-UHFFFAOYSA-N |
| XLogP | 62.17 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 242 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3160.18 |
| LogP ≤ 5 | 62.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |