C379H230N34O2S6 — CID 158068555
3-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)pyrazin-2-yl]carbazole;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)pyrimidin-4-yl]carbazole;3-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[3-(2-dibenzothiophen-4-ylpyrimidin-4-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(6-dibenzothiophen-4-ylpyrimidin-4-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole (PubChem CID 158068555) has the molecular formula C379H230N34O2S6 and a molecular weight of 5484.65 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)pyrazin-2-yl]carbazole;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)pyrimidin-4-yl]carbazole;3-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[3-(2-dibenzothiophen-4-ylpyrimidin-4-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(6-dibenzothiophen-4-ylpyrimidin-4-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole.
| Compound Name | 3-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)pyrazin-2-yl]carbazole;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)pyrimidin-4-yl]carbazole;3-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[3-(2-dibenzothiophen-4-ylpyrimidin-4-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(6-dibenzothiophen-4-ylpyrimidin-4-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole |
|---|---|
| PubChem CID | 158068555 |
| Molecular Formula | C379H230N34O2S6 |
| Molecular Weight | 5484.65 g/mol |
| Exact Mass | 5479.73 |
| IUPAC Name | 3-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)pyrazin-2-yl]carbazole;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)pyrimidin-4-yl]carbazole;3-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[3-(2-dibenzothiophen-4-ylpyrimidin-4-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(6-dibenzothiophen-4-ylpyrimidin-4-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole |
| SMILES | c1cc(-c2cc(-c3cccc4c3sc3ccccc34)ncn2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ncn2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccnc(-c3cccc4c3sc3ccccc34)n2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-c2cncc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ncnc(-c3cccc4c3oc3ccccc34)n2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-c2ncnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ncnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc(-c2cccc3c2sc2ccccc23)c1 |
| InChI | InChI=1S/C60H37N3S.4C46H28N4S.2C45H27N5O.C45H27N5S/c1-6-25-53-45(18-1)46-19-2-7-26-54(46)62(53)42-30-32-57-51(36-42)52-37-43(63-55-27-8-3-20-47(55)48-21-4-9-28-56(48)63)31-33-58(52)61(57)41-17-12-15-39(35-41)38-14-11-16-40(34-38)44-23-13-24-50-49-22-5-10-29-59(49)64-60(44)50;1-5-19-40-33(13-1)34-14-2-6-20-41(34)49(40)31-23-24-43-38(26-31)35-15-3-7-21-42(35)50(43)45-28-47-27-39(48-45)30-12-9-11-29(25-30)32-17-10-18-37-36-16-4-8-22-44(36)51-46(32)37;1-5-19-40-33(13-1)34-14-2-6-20-41(34)49(40)31-23-24-43-38(26-31)35-15-3-7-21-42(35)50(43)45-27-39(47-28-48-45)30-12-9-11-29(25-30)32-17-10-18-37-36-16-4-8-22-44(36)51-46(32)37;1-5-19-41-32(13-1)33-14-2-6-20-42(33)50(41)31-23-24-44-38(26-31)34-15-3-7-21-43(34)49(44)30-12-9-11-29(25-30)39-27-40(48-28-47-39)37-18-10-17-36-35-16-4-8-22-45(35)51-46(36)37;1-5-19-40-32(13-1)33-14-2-6-20-41(33)50(40)31-23-24-43-38(28-31)34-15-3-7-21-42(34)49(43)30-12-9-11-29(27-30)39-25-26-47-46(48-39)37-18-10-17-36-35-16-4-8-22-44(35)51-45(36)37;1-5-19-38-32(13-1)33-14-2-6-20-39(33)49(38)30-23-24-41-37(26-30)34-15-3-7-21-40(34)50(41)45-47-27-46-44(48-45)29-12-9-11-28(25-29)31-17-10-18-36-35-16-4-8-22-42(35)51-43(31)36;1-5-19-38-31(13-1)32-14-2-6-20-39(32)50(38)30-23-24-41-37(26-30)33-15-3-7-21-40(33)49(41)29-12-9-11-28(25-29)44-46-27-47-45(48-44)36-18-10-17-35-34-16-4-8-22-42(34)51-43(35)36;1-5-19-38-32(13-1)33-14-2-6-20-39(33)49(38)30-23-24-41-37(26-30)34-15-3-7-21-40(34)50(41)45-47-27-46-44(48-45)29-12-9-11-28(25-29)31-17-10-18-36-35-16-4-8-22-42(35)51-43(31)36/h1-37H;4*1-28H;3*1-27H |
| InChIKey | FLNNIIVEZKBGSC-UHFFFAOYSA-N |
| XLogP | 100.54 |
| TPSA | 329.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 421 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5484.65 |
| LogP ≤ 5 | 100.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 42 |