C441H278N6S9 — CID 162201327
3,6-bis(6-naphthalen-2-yldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)carbazole;2-(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole (PubChem CID 162201327) has the molecular formula C441H278N6S9 and a molecular weight of 5949.72 g/mol. Its IUPAC name is 3,6-bis(6-naphthalen-2-yldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)carbazole;2-(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole.
| Compound Name | 3,6-bis(6-naphthalen-2-yldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)carbazole;2-(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole |
|---|---|
| PubChem CID | 162201327 |
| Molecular Formula | C441H278N6S9 |
| Molecular Weight | 5949.72 g/mol |
| Exact Mass | 5943.94 |
| IUPAC Name | 3,6-bis(6-naphthalen-2-yldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)carbazole;2-(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5sc5ccccc56)ccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc21.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6cccc7c6CCCC7)cc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6cccc7c6sc6c(-c8ccc9ccccc9c8)cccc67)cc5c5cc(-c6cccc7c6sc6c(-c8ccc9ccccc9c8)cccc67)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cccc4c3sc3c(-c5ccc6c(c5)c5cc(-c7cccc8c7sc7c(-c9ccc(-c%10ccccc%10)cc9)cccc78)ccc5n6-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)cccc34)cc2)cc1.c1ccc(-c2ccc3sc4c(-c5ccc6c7ccccc7n(-c7ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc7)c6c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3cccc4c3sc3c(-c5ccc6c(c5)c5cc(-c7cccc8c7sc7c(-c9cccc(-c%10ccccc%10)c9)cccc78)ccc5n6-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)cccc34)c2)cc1 |
| InChI | InChI=1S/2C86H53NS2.C82H49NS2.C65H43NS.C62H39NS.C60H41NS/c1-4-20-54(21-5-1)58-26-14-28-60(50-58)65-34-16-38-73-75-40-18-36-67(85(75)88-83(65)73)62-44-48-79-77(52-62)78-53-63(68-37-19-41-76-74-39-17-35-66(84(74)89-86(68)76)61-29-15-27-59(51-61)55-22-6-2-7-23-55)45-49-80(78)87(79)64-46-42-57(43-47-64)82-71-32-12-10-30-69(71)81(56-24-8-3-9-25-56)70-31-11-13-33-72(70)82;1-4-18-54(19-5-1)56-36-40-58(41-37-56)65-28-14-32-73-75-34-16-30-67(85(75)88-83(65)73)62-46-50-79-77(52-62)78-53-63(68-31-17-35-76-74-33-15-29-66(84(74)89-86(68)76)59-42-38-57(39-43-59)55-20-6-2-7-21-55)47-51-80(78)87(79)64-48-44-61(45-49-64)82-71-26-12-10-24-69(71)81(60-22-8-3-9-23-60)70-25-11-13-27-72(70)82;1-2-18-52(19-3-1)77-65-22-8-10-24-67(65)78(68-25-11-9-23-66(68)77)53-38-42-60(43-39-53)83-75-44-40-58(63-28-14-32-71-69-30-12-26-61(79(69)84-81(63)71)56-36-34-50-16-4-6-20-54(50)46-56)48-73(75)74-49-59(41-45-76(74)83)64-29-15-33-72-70-31-13-27-62(80(70)85-82(64)72)57-37-35-51-17-5-7-21-55(51)47-57;1-65(2)57-25-12-10-17-47(57)48-34-29-43(39-58(48)65)42-30-35-59-55(37-42)56-38-44(46-23-14-24-54-49-18-11-13-26-61(49)67-64(46)54)31-36-60(56)66(59)45-32-27-41(28-33-45)63-52-21-8-6-19-50(52)62(40-15-4-3-5-16-40)51-20-7-9-22-53(51)63;1-4-16-40(17-5-1)44-31-35-59-55(36-44)56-38-46(41-18-6-2-7-19-41)37-54(62(56)64-59)45-30-34-49-48-22-14-15-27-57(48)63(58(49)39-45)47-32-28-43(29-33-47)61-52-25-12-10-23-50(52)60(42-20-8-3-9-21-42)51-24-11-13-26-53(51)61;1-2-15-39(16-3-1)58-48-20-6-8-22-50(48)59(51-23-9-7-21-49(51)58)40-28-32-43(33-29-40)61-55-34-30-41(45-24-12-17-38-14-4-5-18-44(38)45)36-53(55)54-37-42(31-35-56(54)61)46-25-13-26-52-47-19-10-11-27-57(47)62-60(46)52/h2*1-53H;1-49H;3-39H,1-2H3;1-39H;1-3,6-13,15-17,19-37H,4-5,14,18H2 |
| InChIKey | ZRPVQERJMJZRSG-UHFFFAOYSA-N |
| XLogP | 127.69 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 456 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5949.72 |
| LogP ≤ 5 | 127.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |