C284H176N4S6 — CID 158975044
9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole (PubChem CID 158975044) has the molecular formula C284H176N4S6 and a molecular weight of 3836.96 g/mol. Its IUPAC name is 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole.
| Compound Name | 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole |
|---|---|
| PubChem CID | 158975044 |
| Molecular Formula | C284H176N4S6 |
| Molecular Weight | 3836.96 g/mol |
| Exact Mass | 3833.22 |
| IUPAC Name | 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c6ccccc6c6ccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)cc65)c4)ccc23)cc1.c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccc6c7ccc(-c8cc(-c9ccccc9)cc9c8sc8c(-c%10ccccc%10)cc(-c%10ccccc%10)cc89)cc7n(-c7cccc(-c8ccc9c(-c%10ccccc%10)c%10ccccc%10c(-c%10ccccc%10)c9c8)c7)c6c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc5c6ccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)cc6n(-c6cc7ccccc7c7ccccc67)c5c4)cccc23)cc1 |
| InChI | InChI=1S/C104H65NS2.C62H37NS2.C62H39NS.C56H35NS/c1-9-28-66(29-10-1)78-56-88(70-36-17-5-18-37-70)101-93(60-78)95-62-80(68-32-13-3-14-33-68)58-90(103(95)106-101)76-49-51-83-84-52-50-77(91-59-81(69-34-15-4-16-35-69)63-96-94-61-79(67-30-11-2-12-31-67)57-89(102(94)107-104(91)96)71-38-19-6-20-39-71)65-98(84)105(97(83)64-76)82-45-27-44-74(54-82)75-48-53-87-92(55-75)100(73-42-23-8-24-43-73)86-47-26-25-46-85(86)99(87)72-40-21-7-22-41-72;1-3-15-38(16-4-1)44-23-11-27-52-54-29-13-25-46(61(54)64-59(44)52)41-31-33-50-51-34-32-42(47-26-14-30-55-53-28-12-24-45(60(53)65-62(47)55)39-17-5-2-6-18-39)37-58(51)63(57(50)36-41)56-35-40-19-7-8-20-43(40)48-21-9-10-22-49(48)56;1-4-17-40(18-5-1)47-28-15-30-54-55-31-16-29-48(62(55)64-61(47)54)45-34-35-50-49-25-12-13-32-57(49)63(58(50)39-45)46-24-14-23-43(37-46)44-33-36-53-56(38-44)60(42-21-8-3-9-22-42)52-27-11-10-26-51(52)59(53)41-19-6-2-7-20-41;1-4-16-36(17-5-1)41-31-47(38-20-8-3-9-21-38)55-50(33-41)51-34-42(37-18-6-2-7-19-37)32-48(56(51)58-55)40-28-29-53-49(30-40)46-26-14-15-27-52(46)57(53)54-35-39-22-10-11-23-43(39)44-24-12-13-25-45(44)54/h1-65H;1-37H;1-39H;1-35H |
| InChIKey | JOHDIFCBFDCDAP-UHFFFAOYSA-N |
| XLogP | 82.58 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 294 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3836.96 |
| LogP ≤ 5 | 82.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |