7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;ethane;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine;7-N,9,9-trimethyl-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
C208H167F15N12O4S2 — CID 158825028
Data last refreshed: (MolForge compound catalog, from PubChem)
About 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;ethane;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine;7-N,9,9-trimethyl-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;ethane;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine;7-N,9,9-trimethyl-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine (PubChem CID 158825028) has the molecular formula C208H167F15N12O4S2 and a molecular weight of 3247.81 g/mol. Its IUPAC name is 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;ethane;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine;7-N,9,9-trimethyl-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine.
Molecular Properties
| Compound Name | 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;ethane;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine;7-N,9,9-trimethyl-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine |
|---|---|
| PubChem CID | 158825028 |
| Molecular Formula | C208H167F15N12O4S2 |
| Molecular Weight | 3247.81 g/mol |
| Exact Mass | 3245.24 |
| IUPAC Name | 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;ethane;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine;3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine;7-N,9,9-trimethyl-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine |
| SMILES | CC.CC.Cc1ccc(N(c2ccc3c(c2)oc2cc(C)ccc23)c2ccc3c(c2)oc2cc(N(C)c4ccc(C(F)(F)F)cc4)ccc23)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc3-4)ccc1-2.Cc1ccc2c(c1)oc1cc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)ccc12.Cc1ccc2c(c1)sc1cc(N(c3ccccc3)c3ccc4c(c3)sc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)ccc12.Cc1ccc2c3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(C(F)(F)F)cc7)cc6n(C)c5c4)cc3n(C)c2c1 |
| InChI | InChI=1S/C45H39F3N2.C41H33F3N4.C40H29F3N2O2.C39H27F3N2O2.C39H27F3N2S2.2C2H6/c1-28-12-20-35-37-22-18-33(26-41(37)43(2,3)39(35)24-28)50(31-10-8-7-9-11-31)34-19-23-38-36-21-17-32(25-40(36)44(4,5)42(38)27-34)49(6)30-15-13-29(14-16-30)45(46,47)48;1-26-10-18-33-35-20-16-31(24-39(35)46(3)37(33)22-26)48(29-8-6-5-7-9-29)32-17-21-36-34-19-15-30(23-38(34)47(4)40(36)25-32)45(2)28-13-11-27(12-14-28)41(42,43)44;1-24-4-9-28(10-5-24)45(30-14-18-34-32-16-6-25(2)20-36(32)46-38(34)22-30)31-15-19-35-33-17-13-29(21-37(33)47-39(35)23-31)44(3)27-11-7-26(8-12-27)40(41,42)43;2*1-24-8-16-31-33-18-14-29(22-37(33)45-35(31)20-24)44(27-6-4-3-5-7-27)30-15-19-34-32-17-13-28(21-36(32)46-38(34)23-30)43(2)26-11-9-25(10-12-26)39(40,41)42;2*1-2/h7-27H,1-6H3;5-25H,1-4H3;4-23H,1-3H3;2*3-23H,1-2H3;2*1-2H3 |
| InChIKey | IWIRJJJDGYFXFV-UHFFFAOYSA-N |
| XLogP | 63.85 |
| TPSA | 94.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 241 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3247.81 |
| LogP ≤ 5 | 63.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
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Sources
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