C210H135F5N8O — CID 159541882
[3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole (PubChem CID 159541882) has the molecular formula C210H135F5N8O and a molecular weight of 2881.43 g/mol. Its IUPAC name is [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole.
| Compound Name | [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole |
|---|---|
| PubChem CID | 159541882 |
| Molecular Formula | C210H135F5N8O |
| Molecular Weight | 2881.43 g/mol |
| Exact Mass | 2879.07 |
| IUPAC Name | [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole |
| SMILES | Cc1cc(-n2c3ccc(-c4ccccc4)c(-c4ccccc4)c3c3cccnc32)ccc1-c1c2ccccc2c(-c2cc3ccccc3c3ccccc23)c2ccc(F)cc12.Cc1cc(-n2c3ccncc3c3cc(-c4ccccc4)ccc32)ccc1-c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.FC(F)(F)c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)nccc2n3-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.OCc1cccc(-c2c3ccccc3c(-c3ccc(-n4c5cnccc5c5c(-c6ccccc6)cc(-c6ccccc6)cc54)c(F)c3)c3ccccc23)c1 |
| InChI | InChI=1S/C58H37FN2.C54H33F3N2.C50H33FN2O.C48H32N2/c1-36-33-41(61-53-31-30-44(37-15-4-2-5-16-37)54(38-17-6-3-7-18-38)57(53)50-25-14-32-60-58(50)61)27-29-42(36)55-47-23-12-13-24-48(47)56(49-28-26-40(59)35-52(49)55)51-34-39-19-8-9-20-43(39)45-21-10-11-22-46(45)51;55-54(56,57)41-25-20-35(21-26-41)39-24-29-48-47(33-39)52-49(30-31-58-53(52)37-11-2-1-3-12-37)59(48)42-27-22-36(23-28-42)50-43-14-6-8-16-45(43)51(46-17-9-7-15-44(46)50)40-19-18-34-10-4-5-13-38(34)32-40;51-44-28-36(49-40-20-9-7-18-38(40)48(39-19-8-10-21-41(39)49)35-17-11-12-32(26-35)31-54)22-23-45(44)53-46-29-37(33-13-3-1-4-14-33)27-43(34-15-5-2-6-16-34)50(46)42-24-25-52-30-47(42)53;1-31-27-37(50-45-24-21-35(32-11-3-2-4-12-32)29-43(45)44-30-49-26-25-46(44)50)22-23-38(31)48-41-17-9-7-15-39(41)47(40-16-8-10-18-42(40)48)36-20-19-33-13-5-6-14-34(33)28-36/h2-35H,1H3;1-33H;1-30,54H,31H2;2-30H,1H3 |
| InChIKey | MEHWNPIKTGLYBZ-UHFFFAOYSA-N |
| XLogP | 56.96 |
| TPSA | 91.51 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 224 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2881.43 |
| LogP ≤ 5 | 56.96 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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