C288H185N5S5 — CID 161486192
9-[9,10-bis(3-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[9,10-bis(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;3-dibenzothiophen-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 161486192) has the molecular formula C288H185N5S5 and a molecular weight of 3876.02 g/mol. Its IUPAC name is 9-[9,10-bis(3-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[9,10-bis(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;3-dibenzothiophen-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole.
| Compound Name | 9-[9,10-bis(3-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[9,10-bis(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;3-dibenzothiophen-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 161486192 |
| Molecular Formula | C288H185N5S5 |
| Molecular Weight | 3876.02 g/mol |
| Exact Mass | 3872.32 |
| IUPAC Name | 9-[9,10-bis(3-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[9,10-bis(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;3-dibenzothiophen-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole |
| SMILES | c1cc2c(c(-c3c4ccccc4c(-c4cccc5c4CCCC5)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)ccc34)c1)CCCC2.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)cc4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)ccc34)c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)ccc34)cccc2c1 |
| InChI | InChI=1S/C62H39NS.C58H43NS.C58H35NS.C56H35NS.C54H33NS/c1-3-16-40(17-4-1)42-20-13-22-45(36-42)60-51-26-7-8-27-52(51)61(46-23-14-21-43(37-46)41-18-5-2-6-19-41)56-39-47(33-34-53(56)60)63-57-30-11-9-24-49(57)55-38-44(32-35-58(55)63)48-28-15-29-54-50-25-10-12-31-59(50)64-62(48)54;2*1-3-18-40-36(14-1)16-11-25-45(40)56-47-22-5-6-23-48(47)57(46-26-12-17-37-15-2-4-19-41(37)46)52-35-39(31-32-49(52)56)59-53-28-9-7-20-43(53)51-34-38(30-33-54(51)59)42-24-13-27-50-44-21-8-10-29-55(44)60-58(42)50;1-2-14-36(15-3-1)38-16-12-17-40(34-38)55-47-22-6-4-20-45(47)54(46-21-5-7-23-48(46)55)37-28-31-41(32-29-37)57-51-26-10-8-18-43(51)50-35-39(30-33-52(50)57)42-24-13-25-49-44-19-9-11-27-53(44)58-56(42)49;1-2-15-38-34(13-1)14-11-23-42(38)53-45-20-5-3-18-43(45)52(44-19-4-6-21-46(44)53)35-27-30-37(31-28-35)55-49-25-9-7-16-40(49)48-33-36(29-32-50(48)55)39-22-12-24-47-41-17-8-10-26-51(41)56-54(39)47/h1-39H;5-13,16-17,20-35H,1-4,14-15,18-19H2;1-35H;1-35H;1-33H |
| InChIKey | WEZUFDFDIBTGLO-UHFFFAOYSA-N |
| XLogP | 82.51 |
| TPSA | 24.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 298 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3876.02 |
| LogP ≤ 5 | 82.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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