C134H78N8 — CID 158148943
9-benzo[c]carbazol-7-yl-5-[4-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[c]carbazol-7-yl-5-[5-(3-triphenylen-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 158148943) has the molecular formula C134H78N8 and a molecular weight of 1800.15 g/mol. Its IUPAC name is 9-benzo[c]carbazol-7-yl-5-[4-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[c]carbazol-7-yl-5-[5-(3-triphenylen-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole.
| Compound Name | 9-benzo[c]carbazol-7-yl-5-[4-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[c]carbazol-7-yl-5-[5-(3-triphenylen-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole |
|---|---|
| PubChem CID | 158148943 |
| Molecular Formula | C134H78N8 |
| Molecular Weight | 1800.15 g/mol |
| Exact Mass | 1798.63 |
| IUPAC Name | 9-benzo[c]carbazol-7-yl-5-[4-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[c]carbazol-7-yl-5-[5-(3-triphenylen-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole |
| SMILES | c1ccc2c(c1)-c1cccc3c(-c4nc5ccccc5nc4-c4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9c%10ccccc%10ccc98)ccc7cc65)c5ccccc45)ccc-2c13.c1ccc2cc3c(cc2c1)c1c(-n2c4ccccc4c4c5ccccc5ccc42)cccc1n3-c1ccc2c(-c3nc4ccccc4nc3-c3ccc4c5ccccc5c5ccccc5c4c3)cccc2c1 |
| InChI | InChI=1S/C68H40N4.C66H38N4/c1-2-17-43-40-64-57(38-42(43)16-1)66-61(29-14-30-62(66)72-60-28-12-9-24-55(60)65-48-19-4-3-15-41(48)32-36-63(65)72)71(64)46-33-35-47-44(37-46)18-13-25-54(47)68-67(69-58-26-10-11-27-59(58)70-68)45-31-34-53-51-22-6-5-20-49(51)50-21-7-8-23-52(50)56(53)39-45;1-2-15-43-39(14-1)29-34-61-64(43)54-21-8-12-27-59(54)69(61)42-30-28-40-38-62-55(37-41(40)36-42)48-20-7-11-26-58(48)70(62)60-35-33-52(46-18-5-6-19-47(46)60)65-66(68-57-25-10-9-24-56(57)67-65)53-32-31-51-45-17-4-3-16-44(45)49-22-13-23-50(53)63(49)51/h1-40H;1-38H |
| InChIKey | FUVZDOVQPOTLNY-UHFFFAOYSA-N |
| XLogP | 35.50 |
| TPSA | 71.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 142 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1800.15 |
| LogP ≤ 5 | 35.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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