C300H192N6O5S2Si — CID 157095373
3-(9,9-diethylfluoren-2-yl)-9-naphtho[3,2-b][1]benzothiol-8-ylcarbazole;3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-naphtho[2,1-b][1]benzofuran-3-ylcarbazole;3-(8-naphthalen-1-yldibenzofuran-2-yl)-9-naphtho[1,2-b][1]benzofuran-2-ylcarbazole;10-naphthalen-1-yl-2-[3-(8-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]-11H-benzo[a]fluorene;3-(9-naphtho[3,2-b][1]benzofuran-8-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphtho[2,1-b][1]benzofuran-3-yl-3-[6-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole (PubChem CID 157095373) has the molecular formula C300H192N6O5S2Si and a molecular weight of 4053.09 g/mol. Its IUPAC name is 3-(9,9-diethylfluoren-2-yl)-9-naphtho[3,2-b][1]benzothiol-8-ylcarbazole;3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-naphtho[2,1-b][1]benzofuran-3-ylcarbazole;3-(8-naphthalen-1-yldibenzofuran-2-yl)-9-naphtho[1,2-b][1]benzofuran-2-ylcarbazole;10-naphthalen-1-yl-2-[3-(8-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]-11H-benzo[a]fluorene;3-(9-naphtho[3,2-b][1]benzofuran-8-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphtho[2,1-b][1]benzofuran-3-yl-3-[6-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole.
| Compound Name | 3-(9,9-diethylfluoren-2-yl)-9-naphtho[3,2-b][1]benzothiol-8-ylcarbazole;3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-naphtho[2,1-b][1]benzofuran-3-ylcarbazole;3-(8-naphthalen-1-yldibenzofuran-2-yl)-9-naphtho[1,2-b][1]benzofuran-2-ylcarbazole;10-naphthalen-1-yl-2-[3-(8-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]-11H-benzo[a]fluorene;3-(9-naphtho[3,2-b][1]benzofuran-8-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphtho[2,1-b][1]benzofuran-3-yl-3-[6-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole |
|---|---|
| PubChem CID | 157095373 |
| Molecular Formula | C300H192N6O5S2Si |
| Molecular Weight | 4053.09 g/mol |
| Exact Mass | 4049.42 |
| IUPAC Name | 3-(9,9-diethylfluoren-2-yl)-9-naphtho[3,2-b][1]benzothiol-8-ylcarbazole;3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-naphtho[2,1-b][1]benzofuran-3-ylcarbazole;3-(8-naphthalen-1-yldibenzofuran-2-yl)-9-naphtho[1,2-b][1]benzofuran-2-ylcarbazole;10-naphthalen-1-yl-2-[3-(8-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]-11H-benzo[a]fluorene;3-(9-naphtho[3,2-b][1]benzofuran-8-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphtho[2,1-b][1]benzofuran-3-yl-3-[6-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole |
| SMILES | CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5c(cc4c3)sc3ccccc35)cc21.C[Si]1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(ccc5oc6ccccc6c54)c3)cc21.c1ccc(-c2cccc3c2Cc2ccc(-c4ccc5c(c4)-c4ccccc4C5c4ccc5ccc6c(c5c4)Cc4c-6cccc4-c4cccc5ccccc45)cc2-3)cc1.c1ccc(-c2ccccc2-c2ccc(-c3cccc4c3sc3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(ccc7oc8ccccc8c76)c5)cc34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc6c(cc5c4)oc4ccccc46)ccc32)cc1.c1ccc2c(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccc8c9ccccc9oc8c7c6)cc5c4c3)cccc2c1 |
| InChI | InChI=1S/C59H38.C58H35NOS.C50H29NO2.C46H28N2O.C45H33NS.C42H29NOSi/c1-2-11-36(12-3-1)44-18-9-22-49-54-31-39(24-25-41(54)33-55(44)49)40-28-30-52-56(32-40)48-16-6-7-17-51(48)59(52)42-26-23-38-27-29-50-47-21-10-20-46(57(47)35-58(50)53(38)34-42)45-19-8-14-37-13-4-5-15-43(37)45;1-2-11-36(12-3-1)43-13-4-5-14-44(43)37-21-23-38(24-22-37)46-17-10-18-48-51-35-40(27-32-56(51)61-58(46)48)39-25-30-53-50(34-39)47-15-6-8-19-52(47)59(53)42-28-29-45-41(33-42)26-31-55-57(45)49-16-7-9-20-54(49)60-55;1-2-10-36-30(8-1)9-7-13-37(36)34-20-25-49-44(28-34)43-27-33(19-24-48(43)52-49)32-18-23-46-42(26-32)38-11-3-5-14-45(38)51(46)35-21-16-31-17-22-40-39-12-4-6-15-47(39)53-50(40)41(31)29-35;1-2-10-33(11-3-1)47-41-15-7-4-12-35(41)38-25-29(19-22-43(38)47)30-20-23-44-39(26-30)36-13-5-8-16-42(36)48(44)34-21-18-31-27-40-37-14-6-9-17-45(37)49-46(40)28-32(31)24-34;1-3-45(4-2)39-14-8-5-11-33(39)34-21-18-30(26-40(34)45)28-19-22-42-37(24-28)35-12-6-9-15-41(35)46(42)32-20-17-29-25-38-36-13-7-10-16-43(36)47-44(38)27-31(29)23-32;1-45(2)40-14-8-5-10-32(40)33-19-15-27(25-41(33)45)26-16-21-37-35(24-26)31-9-3-6-12-36(31)43(37)29-18-20-30-28(23-29)17-22-39-42(30)34-11-4-7-13-38(34)44-39/h1-32,34,59H,33,35H2;1-35H;1-29H;1-28H;5-27H,3-4H2,1-2H3;3-25H,1-2H3 |
| InChIKey | AFDNIEPICHREIQ-UHFFFAOYSA-N |
| XLogP | 82.36 |
| TPSA | 95.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 314 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4053.09 |
| LogP ≤ 5 | 82.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |