C175H114N6OS2 — CID 167586364
N-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-3-amine;N-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine;N-[3-(2-carbazol-9-yl-9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (PubChem CID 167586364) has the molecular formula C175H114N6OS2 and a molecular weight of 2381.01 g/mol. Its IUPAC name is N-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-3-amine;N-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine;N-[3-(2-carbazol-9-yl-9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.
| Compound Name | N-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-3-amine;N-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine;N-[3-(2-carbazol-9-yl-9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine |
|---|---|
| PubChem CID | 167586364 |
| Molecular Formula | C175H114N6OS2 |
| Molecular Weight | 2381.01 g/mol |
| Exact Mass | 2378.85 |
| IUPAC Name | N-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-3-amine;N-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine;N-[3-(2-carbazol-9-yl-9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine |
| SMILES | c1ccc(-c2cccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccc(-n6c7ccccc7c7ccccc76)cc54)c3)c3cccc4ccccc34)c2)cc1.c1ccc(C2(c3ccccc3)c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4sc4ccccc45)ccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)c2ccc3sc4ccccc4c3c2)cc1 |
| InChI | InChI=1S/C61H38N2OS.C59H40N2.C55H36N2S/c1-3-16-39(17-4-1)61(40-18-5-2-6-19-40)52-36-41(30-33-44(52)45-34-31-42(37-53(45)61)63-54-25-11-7-20-46(54)47-21-8-12-26-55(47)63)62(43-32-35-49-48-22-9-13-28-57(48)64-58(49)38-43)56-27-15-24-51-50-23-10-14-29-59(50)65-60(51)56;1-3-18-41(19-4-1)43-22-15-26-46(38-43)60(56-35-16-21-42-20-7-8-28-49(42)56)47-27-17-25-45(39-47)59(44-23-5-2-6-24-44)54-32-12-9-29-50(54)51-37-36-48(40-55(51)59)61-57-33-13-10-30-52(57)53-31-11-14-34-58(53)61;1-4-16-37(17-5-1)55(38-18-6-2-7-19-38)49-35-41(56(39-20-8-3-9-21-39)40-30-33-54-48(34-40)47-24-12-15-27-53(47)58-54)28-31-43(49)44-32-29-42(36-50(44)55)57-51-25-13-10-22-45(51)46-23-11-14-26-52(46)57/h1-38H;1-40H;1-36H |
| InChIKey | HVWZWGZKUXZNEQ-UHFFFAOYSA-N |
| XLogP | 47.31 |
| TPSA | 37.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 184 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2381.01 |
| LogP ≤ 5 | 47.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |