C208H146N6O2S — CID 159210601
1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine (PubChem CID 159210601) has the molecular formula C208H146N6O2S and a molecular weight of 2793.56 g/mol. Its IUPAC name is 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine.
| Compound Name | 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine |
|---|---|
| PubChem CID | 159210601 |
| Molecular Formula | C208H146N6O2S |
| Molecular Weight | 2793.56 g/mol |
| Exact Mass | 2791.12 |
| IUPAC Name | 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine |
| SMILES | CC1(C)c2cc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc2-c2ccc3ccccc3c21.Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)cc(N(c3ccc(C)cc3)c3ccc4oc5ccccc5c4c3)c2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)cc(N(c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)c2)c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C73H48N2S.C68H50N2O.C67H48N2O/c1-4-25-54(26-5-1)73(55-27-6-2-7-28-55)67-46-52(39-41-63(67)65-42-38-51-22-12-15-33-62(51)72(65)73)53-44-58(74(56-29-8-3-9-30-56)68-35-18-23-49-20-10-13-31-60(49)68)47-59(45-53)75(69-36-19-24-50-21-11-14-32-61(50)69)57-40-43-71-66(48-57)64-34-16-17-37-70(64)76-71;1-45-22-30-53(31-23-45)69(54-32-24-46(2)25-33-54)57-40-50(41-58(43-57)70(55-34-26-47(3)27-35-55)56-36-39-66-63(44-56)61-20-12-13-21-65(61)71-66)49-29-37-60-62-38-28-48-14-10-11-19-59(48)67(62)68(64(60)42-49,51-15-6-4-7-16-51)52-17-8-5-9-18-52;1-67(2)63-42-50(32-36-59(63)61-37-31-48-21-12-13-26-58(48)66(61)67)51-40-56(68(52-23-10-5-11-24-52)55-35-38-65-62(44-55)60-27-14-15-28-64(60)70-65)43-57(41-51)69(53-33-29-47(30-34-53)45-17-6-3-7-18-45)54-25-16-22-49(39-54)46-19-8-4-9-20-46/h1-48H;4-44H,1-3H3;3-44H,1-2H3 |
| InChIKey | KQLFKBOWZIZTAT-UHFFFAOYSA-N |
| XLogP | 58.10 |
| TPSA | 45.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 217 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2793.56 |
| LogP ≤ 5 | 58.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |