C202H132N6 — CID 162109937
7-ethyl-11-[8-(7-ethylbenzo[c]carbazol-11-yl)-10-(4-phenylphenyl)anthracen-1-yl]benzo[c]carbazole;7-phenyl-1-[8-(7-phenylbenzo[c]carbazol-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]benzo[c]carbazole;7-phenyl-4-[8-(7-phenylbenzo[c]carbazol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]benzo[c]carbazole (PubChem CID 162109937) has the molecular formula C202H132N6 and a molecular weight of 2643.32 g/mol. Its IUPAC name is 7-ethyl-11-[8-(7-ethylbenzo[c]carbazol-11-yl)-10-(4-phenylphenyl)anthracen-1-yl]benzo[c]carbazole;7-phenyl-1-[8-(7-phenylbenzo[c]carbazol-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]benzo[c]carbazole;7-phenyl-4-[8-(7-phenylbenzo[c]carbazol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]benzo[c]carbazole.
| Compound Name | 7-ethyl-11-[8-(7-ethylbenzo[c]carbazol-11-yl)-10-(4-phenylphenyl)anthracen-1-yl]benzo[c]carbazole;7-phenyl-1-[8-(7-phenylbenzo[c]carbazol-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]benzo[c]carbazole;7-phenyl-4-[8-(7-phenylbenzo[c]carbazol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]benzo[c]carbazole |
|---|---|
| PubChem CID | 162109937 |
| Molecular Formula | C202H132N6 |
| Molecular Weight | 2643.32 g/mol |
| Exact Mass | 2641.05 |
| IUPAC Name | 7-ethyl-11-[8-(7-ethylbenzo[c]carbazol-11-yl)-10-(4-phenylphenyl)anthracen-1-yl]benzo[c]carbazole;7-phenyl-1-[8-(7-phenylbenzo[c]carbazol-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]benzo[c]carbazole;7-phenyl-4-[8-(7-phenylbenzo[c]carbazol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]benzo[c]carbazole |
| SMILES | CCn1c2cccc(-c3cccc4c(-c5ccc(-c6ccccc6)cc5)c5cccc(-c6cccc7c6c6c8ccccc8ccc6n7CC)c5cc34)c2c2c3ccccc3ccc21.c1ccc(-c2ccccc2-c2c3cccc(-c4cccc5c4ccc4c5c5ccccc5n4-c4ccccc4)c3cc3c(-c4cccc5c4ccc4c5c5ccccc5n4-c4ccccc4)cccc23)cc1.c1ccc(-c2ccccc2-c2c3cccc(-c4cccc5ccc6c(c7ccccc7n6-c6ccccc6)c45)c3cc3c(-c4cccc5ccc6c(c7ccccc7n6-c6ccccc6)c45)cccc23)cc1 |
| InChI | InChI=1S/2C70H44N2.C62H44N2/c1-4-20-45(21-5-1)50-28-10-11-29-53(50)68-56-36-18-32-51(54-34-16-22-46-40-42-64-69(66(46)54)58-30-12-14-38-62(58)71(64)48-24-6-2-7-25-48)60(56)44-61-52(33-19-37-57(61)68)55-35-17-23-47-41-43-65-70(67(47)55)59-31-13-15-39-63(59)72(65)49-26-8-3-9-27-49;1-4-20-45(21-5-1)48-26-10-11-27-55(48)68-58-36-18-32-51(49-30-16-34-56-53(49)40-42-66-69(56)60-28-12-14-38-64(60)71(66)46-22-6-2-7-23-46)62(58)44-63-52(33-19-37-59(63)68)50-31-17-35-57-54(50)41-43-67-70(57)61-29-13-15-39-65(61)72(67)47-24-8-3-9-25-47;1-3-63-54-28-14-26-48(61(54)59-44-20-10-8-18-41(44)34-36-56(59)63)46-22-12-24-50-52(46)38-53-47(23-13-25-51(53)58(50)43-32-30-40(31-33-43)39-16-6-5-7-17-39)49-27-15-29-55-62(49)60-45-21-11-9-19-42(45)35-37-57(60)64(55)4-2/h2*1-44H;5-38H,3-4H2,1-2H3 |
| InChIKey | ZFZZQULPAPMUNC-UHFFFAOYSA-N |
| XLogP | 55.55 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 208 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2643.32 |
| LogP ≤ 5 | 55.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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