C132H83N3O3S — CID 162190539
9-[3-dibenzofuran-2-yl-5-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]carbazole (PubChem CID 162190539) has the molecular formula C132H83N3O3S and a molecular weight of 1791.20 g/mol. Its IUPAC name is 9-[3-dibenzofuran-2-yl-5-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]carbazole.
| Compound Name | 9-[3-dibenzofuran-2-yl-5-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 162190539 |
| Molecular Formula | C132H83N3O3S |
| Molecular Weight | 1791.20 g/mol |
| Exact Mass | 1789.62 |
| IUPAC Name | 9-[3-dibenzofuran-2-yl-5-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]carbazole |
| SMILES | c1cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3sc4ccccc4c3c2)c1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c2)cc1 |
| InChI | InChI=1S/C48H29NO2.C48H31NO.C36H23NS/c1-5-16-43-37(12-1)38-13-2-6-17-44(38)49(43)36-26-34(25-35(27-36)33-21-23-48-42(29-33)40-15-4-8-19-46(40)51-48)31-11-9-10-30(24-31)32-20-22-47-41(28-32)39-14-3-7-18-45(39)50-47;1-3-11-32(12-4-1)35-21-25-47-43(30-35)44-31-36(22-26-48(44)50-47)39-28-37(33-13-5-2-6-14-33)27-38(29-39)34-19-23-40(24-20-34)49-45-17-9-7-15-41(45)42-16-8-10-18-46(42)49;1-4-16-33-29(13-1)30-14-2-5-17-34(30)37(33)28-12-8-11-26(22-28)24-9-7-10-25(21-24)27-19-20-36-32(23-27)31-15-3-6-18-35(31)38-36/h1-29H;1-31H;1-23H |
| InChIKey | ZQFXYEKIFSYSKQ-UHFFFAOYSA-N |
| XLogP | 37.42 |
| TPSA | 54.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 139 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1791.20 |
| LogP ≤ 5 | 37.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |