C168H112N6O3S2 — CID 157254590
N-dibenzofuran-3-yl-N-naphthalen-1-yl-6-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine;3-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-6-N-phenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-(9,9-dimethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene-3,6-diamine (PubChem CID 157254590) has the molecular formula C168H112N6O3S2 and a molecular weight of 2326.92 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-naphthalen-1-yl-6-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine;3-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-6-N-phenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-(9,9-dimethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene-3,6-diamine.
| Compound Name | N-dibenzofuran-3-yl-N-naphthalen-1-yl-6-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine;3-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-6-N-phenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-(9,9-dimethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene-3,6-diamine |
|---|---|
| PubChem CID | 157254590 |
| Molecular Formula | C168H112N6O3S2 |
| Molecular Weight | 2326.92 g/mol |
| Exact Mass | 2324.82 |
| IUPAC Name | N-dibenzofuran-3-yl-N-naphthalen-1-yl-6-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine;3-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-6-N-phenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-(9,9-dimethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene-3,6-diamine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3sc3cc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc34)cc21.c1ccc(-c2cccc(N(c3ccc4c(c3)sc3c(N(c5ccccc5)c5cccc6ccccc56)cccc34)c3ccc4oc5ccccc5c4c3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3oc3cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc34)cc2)cc1 |
| InChI | InChI=1S/C64H44N2S.C52H34N2O2.C52H34N2OS/c1-63(2)54-27-13-9-22-46(54)50-35-33-44(38-58(50)63)66(42-20-7-4-8-21-42)60-31-17-26-53-52-37-34-45(40-61(52)67-62(53)60)65(41-18-5-3-6-19-41)43-32-36-51-49-25-12-16-30-57(49)64(59(51)39-43)55-28-14-10-23-47(55)48-24-11-15-29-56(48)64;1-3-15-37(16-4-1)53(38-17-5-2-6-18-38)39-27-25-36(26-28-39)43-21-12-22-47-46-32-30-41(34-51(46)56-52(43)47)54(48-23-11-14-35-13-7-8-19-42(35)48)40-29-31-45-44-20-9-10-24-49(44)55-50(45)33-40;1-3-14-35(15-4-1)37-18-11-21-39(32-37)53(40-29-31-50-46(33-40)43-23-9-10-27-49(43)55-50)41-28-30-44-45-24-13-26-48(52(45)56-51(44)34-41)54(38-19-5-2-6-20-38)47-25-12-17-36-16-7-8-22-42(36)47/h3-40H,1-2H3;2*1-34H |
| InChIKey | AWSVVARIZABMJB-UHFFFAOYSA-N |
| XLogP | 48.60 |
| TPSA | 58.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2326.92 |
| LogP ≤ 5 | 48.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |