C204H129FN8 — CID 157485761
6-fluoro-5-[4-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]phenyl]pyrido[3,2-b]indole;5-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-8-phenylpyrido[4,3-b]indole;5-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrido[4,3-b]indole;9-[4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphthalen-1-yl]pyrido[3,4-b]indole (PubChem CID 157485761) has the molecular formula C204H129FN8 and a molecular weight of 2711.33 g/mol. Its IUPAC name is 6-fluoro-5-[4-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]phenyl]pyrido[3,2-b]indole;5-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-8-phenylpyrido[4,3-b]indole;5-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrido[4,3-b]indole;9-[4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphthalen-1-yl]pyrido[3,4-b]indole.
| Compound Name | 6-fluoro-5-[4-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]phenyl]pyrido[3,2-b]indole;5-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-8-phenylpyrido[4,3-b]indole;5-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrido[4,3-b]indole;9-[4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphthalen-1-yl]pyrido[3,4-b]indole |
|---|---|
| PubChem CID | 157485761 |
| Molecular Formula | C204H129FN8 |
| Molecular Weight | 2711.33 g/mol |
| Exact Mass | 2709.03 |
| IUPAC Name | 6-fluoro-5-[4-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]phenyl]pyrido[3,2-b]indole;5-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-8-phenylpyrido[4,3-b]indole;5-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrido[4,3-b]indole;9-[4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphthalen-1-yl]pyrido[3,4-b]indole |
| SMILES | Fc1cccc2c3ncccc3n(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)c5ccccc45)cc3)c12.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc(-n5c6ccccc6c6cnccc65)c4)c3)c3ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-n6c7ccccc7c7ccncc76)c6ccccc56)cc4)c4ccccc34)c2)cc1 |
| InChI | InChI=1S/C55H33FN2.2C53H34N2.C43H28N2/c56-50-24-11-23-48-54-51(25-12-32-57-54)58(55(48)50)36-28-26-34(27-29-36)38-30-31-47(41-17-5-3-16-40(38)41)52-43-19-7-9-21-45(43)53(46-22-10-8-20-44(46)52)49-33-35-13-1-2-14-37(35)39-15-4-6-18-42(39)49;1-2-13-35(14-3-1)38-15-12-16-39(33-38)53-47-22-8-6-20-45(47)52(46-21-7-9-23-48(46)53)37-27-25-36(26-28-37)40-29-30-50(42-18-5-4-17-41(40)42)55-49-24-11-10-19-43(49)44-31-32-54-34-51(44)55;1-2-10-35(11-3-1)41-26-29-50-48(33-41)49-34-54-31-30-51(49)55(50)43-27-24-38(25-28-43)37-18-21-39(22-19-37)52-44-14-6-8-16-46(44)53(47-17-9-7-15-45(47)52)42-23-20-36-12-4-5-13-40(36)32-42;1-2-12-29(13-3-1)42-35-19-4-6-21-37(35)43(38-22-7-5-20-36(38)42)32-16-10-14-30(26-32)31-15-11-17-33(27-31)45-40-23-9-8-18-34(40)39-28-44-25-24-41(39)45/h1-33H;2*1-34H;1-28H |
| InChIKey | BWRSJMNOLGEXSP-UHFFFAOYSA-N |
| XLogP | 55.18 |
| TPSA | 71.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 213 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2711.33 |
| LogP ≤ 5 | 55.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|