C422H272N42S14 — CID 157093450
5,10-bis[4-(3-carbazol-9-yl-2-benzothiophen-1-yl)phenyl]pyrazino[2,3-g]quinoxaline;5,10-bis[4-(3-carbazol-9-yl-2-benzothiophen-1-yl)phenyl]-2,3,7,8-tetramethylpyrazino[2,3-g]quinoxaline;5,10-bis[3-(4-carbazol-9-ylphenyl)-2-benzothiophen-1-yl]pyrazino[2,3-g]quinoxaline;5,10-bis[3-(4-carbazol-9-ylphenyl)-2-benzothiophen-1-yl]-2,3,7,8-tetramethylpyrazino[2,3-g]quinoxaline;5,10-bis[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[4-[5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine;N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine (PubChem CID 157093450) has the molecular formula C422H272N42S14 and a molecular weight of 6380.05 g/mol. Its IUPAC name is 5,10-bis[4-(3-carbazol-9-yl-2-benzothiophen-1-yl)phenyl]pyrazino[2,3-g]quinoxaline;5,10-bis[4-(3-carbazol-9-yl-2-benzothiophen-1-yl)phenyl]-2,3,7,8-tetramethylpyrazino[2,3-g]quinoxaline;5,10-bis[3-(4-carbazol-9-ylphenyl)-2-benzothiophen-1-yl]pyrazino[2,3-g]quinoxaline;5,10-bis[3-(4-carbazol-9-ylphenyl)-2-benzothiophen-1-yl]-2,3,7,8-tetramethylpyrazino[2,3-g]quinoxaline;5,10-bis[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[4-[5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine;N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine.
| Compound Name | 5,10-bis[4-(3-carbazol-9-yl-2-benzothiophen-1-yl)phenyl]pyrazino[2,3-g]quinoxaline;5,10-bis[4-(3-carbazol-9-yl-2-benzothiophen-1-yl)phenyl]-2,3,7,8-tetramethylpyrazino[2,3-g]quinoxaline;5,10-bis[3-(4-carbazol-9-ylphenyl)-2-benzothiophen-1-yl]pyrazino[2,3-g]quinoxaline;5,10-bis[3-(4-carbazol-9-ylphenyl)-2-benzothiophen-1-yl]-2,3,7,8-tetramethylpyrazino[2,3-g]quinoxaline;5,10-bis[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[4-[5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine;N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine |
|---|---|
| PubChem CID | 157093450 |
| Molecular Formula | C422H272N42S14 |
| Molecular Weight | 6380.05 g/mol |
| Exact Mass | 6373.87 |
| IUPAC Name | 5,10-bis[4-(3-carbazol-9-yl-2-benzothiophen-1-yl)phenyl]pyrazino[2,3-g]quinoxaline;5,10-bis[4-(3-carbazol-9-yl-2-benzothiophen-1-yl)phenyl]-2,3,7,8-tetramethylpyrazino[2,3-g]quinoxaline;5,10-bis[3-(4-carbazol-9-ylphenyl)-2-benzothiophen-1-yl]pyrazino[2,3-g]quinoxaline;5,10-bis[3-(4-carbazol-9-ylphenyl)-2-benzothiophen-1-yl]-2,3,7,8-tetramethylpyrazino[2,3-g]quinoxaline;5,10-bis[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[4-[5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine;N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine |
| SMILES | Cc1nc2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)s4)cc3)c3nc(C)c(C)nc3c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)s4)cc3)c2nc1C.Cc1nc2c(-c3ccc(-c4sc(-n5c6ccccc6c6ccccc65)c5ccccc45)cc3)c3nc(C)c(C)nc3c(-c3ccc(-c4sc(-n5c6ccccc6c6ccccc65)c5ccccc45)cc3)c2nc1C.Cc1nc2c(-c3sc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)c3nc(C)c(C)nc3c(-c3sc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)c2nc1C.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4c5nccnc5c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)s6)cc5)c5nccnc45)cc3)s2)cc1.c1ccc2c(-c3c4nccnc4c(-c4sc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)c4nccnc34)sc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1.c1ccc2c(-n3c4ccccc4c4ccccc43)sc(-c3ccc(-c4c5nccnc5c(-c5ccc(-c6sc(-n7c8ccccc8c8ccccc87)c7ccccc67)cc5)c5nccnc45)cc3)c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3c4nccnc4c(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)s4)c4nccnc34)s2)cc1 |
| InChI | InChI=1S/2C66H44N6S2.2C62H36N6S2.C58H44N6S2.C54H32N6S2.C54H36N6S2/c1-37-38(2)68-60-58(66-52-24-8-6-22-50(52)64(74-66)42-31-35-44(36-32-42)72-55-27-15-11-19-47(55)48-20-12-16-28-56(48)72)62-61(69-39(3)40(4)70-62)57(59(60)67-37)65-51-23-7-5-21-49(51)63(73-65)41-29-33-43(34-30-41)71-53-25-13-9-17-45(53)46-18-10-14-26-54(46)71;1-37-38(2)68-60-58(42-31-35-44(36-32-42)64-50-22-6-8-24-52(50)66(74-64)72-55-27-15-11-19-47(55)48-20-12-16-28-56(48)72)62-61(69-39(3)40(4)70-62)57(59(60)67-37)41-29-33-43(34-30-41)63-49-21-5-7-23-51(49)65(73-63)71-53-25-13-9-17-45(53)46-18-10-14-26-54(46)71;1-3-19-47-45(17-1)59(37-25-29-39(30-26-37)67-49-21-9-5-13-41(49)42-14-6-10-22-50(42)67)69-61(47)53-55-57(65-35-33-63-55)54(58-56(53)64-34-36-66-58)62-48-20-4-2-18-46(48)60(70-62)38-27-31-40(32-28-38)68-51-23-11-7-15-43(51)44-16-8-12-24-52(44)68;1-3-19-47-45(17-1)59(69-61(47)67-49-21-9-5-13-41(49)42-14-6-10-22-50(42)67)39-29-25-37(26-30-39)53-55-57(65-35-33-63-55)54(58-56(53)64-34-36-66-58)38-27-31-40(32-28-38)60-46-18-2-4-20-48(46)62(70-60)68-51-23-11-7-15-43(51)44-16-8-12-24-52(44)68;1-37-38(2)60-56-54(44-31-27-42(28-32-44)50-34-36-52(66-50)64(47-21-13-7-14-22-47)48-23-15-8-16-24-48)58-57(61-39(3)40(4)62-58)53(55(56)59-37)43-29-25-41(26-30-43)49-33-35-51(65-49)63(45-17-9-5-10-18-45)46-19-11-6-12-20-46;1-5-13-41-37(9-1)38-10-2-6-14-42(38)59(41)35-21-17-33(18-22-35)45-25-27-47(61-45)49-51-53(57-31-29-55-51)50(54-52(49)56-30-32-58-54)48-28-26-46(62-48)34-19-23-36(24-20-34)60-43-15-7-3-11-39(43)40-12-4-8-16-44(40)60;1-5-13-41(14-6-1)59(42-15-7-2-8-16-42)47-31-29-45(61-47)37-21-25-39(26-22-37)49-51-53(57-35-33-55-51)50(54-52(49)56-34-36-58-54)40-27-23-38(24-28-40)46-30-32-48(62-46)60(43-17-9-3-10-18-43)44-19-11-4-12-20-44/h2*5-36H,1-4H3;2*1-36H;5-36H,1-4H3;1-32H;1-36H |
| InChIKey | AEXWLXRXZGIMME-UHFFFAOYSA-N |
| XLogP | 116.32 |
| TPSA | 423.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 478 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6380.05 |
| LogP ≤ 5 | 116.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 56 |