C183H126F4N6 — CID 161322095
5-N,9-N-bis(3-fluorophenyl)-7,7-dimethyl-5-N,9-N-dinaphthalen-1-ylbenzo[c]fluorene-5,9-diamine;5-N,9-N-bis(3-fluorophenyl)-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene (PubChem CID 161322095) has the molecular formula C183H126F4N6 and a molecular weight of 2485.05 g/mol. Its IUPAC name is 5-N,9-N-bis(3-fluorophenyl)-7,7-dimethyl-5-N,9-N-dinaphthalen-1-ylbenzo[c]fluorene-5,9-diamine;5-N,9-N-bis(3-fluorophenyl)-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene.
| Compound Name | 5-N,9-N-bis(3-fluorophenyl)-7,7-dimethyl-5-N,9-N-dinaphthalen-1-ylbenzo[c]fluorene-5,9-diamine;5-N,9-N-bis(3-fluorophenyl)-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene |
|---|---|
| PubChem CID | 161322095 |
| Molecular Formula | C183H126F4N6 |
| Molecular Weight | 2485.05 g/mol |
| Exact Mass | 2483.00 |
| IUPAC Name | 5-N,9-N-bis(3-fluorophenyl)-7,7-dimethyl-5-N,9-N-dinaphthalen-1-ylbenzo[c]fluorene-5,9-diamine;5-N,9-N-bis(3-fluorophenyl)-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene |
| SMILES | CC1(C)c2cc(N(c3cccc(F)c3)c3cccc4ccccc34)ccc2-c2c1cc(N(c1cccc(F)c1)c1cccc3ccccc13)c1ccccc21.CC1(C)c2cc(N(c3ccccc3)c3cccc(F)c3)ccc2-c2c1cc(N(c1ccccc1)c1cccc(F)c1)c1ccccc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1 |
| InChI | InChI=1S/C53H34N2.C51H36F2N2.C43H32F2N2.C36H24/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-51(2)45-31-39(54(37-19-11-17-35(52)29-37)47-25-9-15-33-13-3-5-21-40(33)47)27-28-44(45)50-43-24-8-7-23-42(43)49(32-46(50)51)55(38-20-12-18-36(53)30-38)48-26-10-16-34-14-4-6-22-41(34)48;1-43(2)39-27-35(46(31-15-5-3-6-16-31)33-19-11-13-29(44)25-33)23-24-38(39)42-37-22-10-9-21-36(37)41(28-40(42)43)47(32-17-7-4-8-18-32)34-20-12-14-30(45)26-34;1-2-12-27(13-3-1)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)28-23-21-26(22-24-28)30-20-10-14-25-11-4-5-15-29(25)30/h1-34H;3-32H,1-2H3;3-28H,1-2H3;1-24H |
| InChIKey | VKGWENYKZHWMQU-UHFFFAOYSA-N |
| XLogP | 51.49 |
| TPSA | 30.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 193 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2485.05 |
| LogP ≤ 5 | 51.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|