C405H258N8OS4 — CID 159433866
9-dibenzofuran-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-3-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-4-yl)-2-(3-triphenylen-2-ylphenyl)carbazole (PubChem CID 159433866) has the molecular formula C405H258N8OS4 and a molecular weight of 5380.84 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-3-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-4-yl)-2-(3-triphenylen-2-ylphenyl)carbazole.
| Compound Name | 9-dibenzofuran-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-3-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-4-yl)-2-(3-triphenylen-2-ylphenyl)carbazole |
|---|---|
| PubChem CID | 159433866 |
| Molecular Formula | C405H258N8OS4 |
| Molecular Weight | 5380.84 g/mol |
| Exact Mass | 5375.93 |
| IUPAC Name | 9-dibenzofuran-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-3-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-4-yl)-2-(3-triphenylen-2-ylphenyl)carbazole |
| SMILES | CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc43)cccc21.CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc43)ccc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc43)cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3c2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3c2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4ccccc45)c3c2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c2)c1 |
| InChI | InChI=1S/2C54H33NS.3C51H35N.C48H29NO.2C48H29NS/c1-2-18-43-41(16-1)42-17-3-4-19-44(42)50-32-36(26-28-45(43)50)34-12-9-13-35(30-34)37-27-29-47-46-20-5-7-24-51(46)55(52(47)33-37)39-15-10-14-38(31-39)40-22-11-23-49-48-21-6-8-25-53(48)56-54(40)49;1-2-17-43-41(15-1)42-16-3-4-18-44(42)49-31-37(23-26-45(43)49)34-11-9-12-35(29-34)39-24-27-47-46-19-5-7-21-51(46)55(52(47)33-39)40-14-10-13-36(30-40)38-25-28-54-50(32-38)48-20-6-8-22-53(48)56-54;1-51(2)45-21-9-7-20-43(45)50-46(51)22-12-24-48(50)52-47-23-10-8-19-41(47)42-28-26-35(31-49(42)52)33-14-11-13-32(29-33)34-25-27-40-38-17-4-3-15-36(38)37-16-5-6-18-39(37)44(40)30-34;1-51(2)47-20-9-7-18-42(47)43-27-24-36(31-48(43)51)52-49-21-10-8-19-44(49)45-26-23-35(30-50(45)52)33-13-11-12-32(28-33)34-22-25-41-39-16-4-3-14-37(39)38-15-5-6-17-40(38)46(41)29-34;1-51(2)47-20-9-7-18-42(47)46-31-36(24-27-48(46)51)52-49-21-10-8-19-43(49)44-26-23-35(30-50(44)52)33-13-11-12-32(28-33)34-22-25-41-39-16-4-3-14-37(39)38-15-5-6-17-40(38)45(41)29-34;2*1-2-15-36-34(13-1)35-14-3-4-16-37(35)43-28-32(23-25-38(36)43)30-11-9-12-31(27-30)33-24-26-40-39-17-5-7-20-44(39)49(46(40)29-33)45-21-10-19-42-41-18-6-8-22-47(41)50-48(42)45;1-2-14-37-35(12-1)36-13-3-4-15-38(36)43-27-32(20-23-39(37)43)30-10-9-11-31(26-30)33-21-24-41-40-16-5-7-18-45(40)49(46(41)28-33)34-22-25-48-44(29-34)42-17-6-8-19-47(42)50-48/h2*1-33H;3*3-31H,1-2H3;3*1-29H |
| InChIKey | LRIAOBOPNHAQGZ-UHFFFAOYSA-N |
| XLogP | 114.24 |
| TPSA | 52.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 418 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5380.84 |
| LogP ≤ 5 | 114.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |