C184H114 — CID 158593797
3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene (PubChem CID 158593797) has the molecular formula C184H114 and a molecular weight of 2324.94 g/mol. Its IUPAC name is 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene.
| Compound Name | 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene |
|---|---|
| PubChem CID | 158593797 |
| Molecular Formula | C184H114 |
| Molecular Weight | 2324.94 g/mol |
| Exact Mass | 2322.89 |
| IUPAC Name | 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.c1ccc2cc(-c3ccc(-c4cc5c(cc4-c4ccc(-c6ccc7ccccc7c6)cc4)-c4ccc(-c6ccc7ccccc7c6)c6cccc-5c46)cc3)ccc2c1.c1ccc2cc(-c3ccc(-c4ccc5c(c4)-c4cccc6c(-c7ccc8ccccc8c7)ccc-5c46)cc3)ccc2c1.c1ccc2cc(-c3ccc4c(c3)-c3cccc5c(-c6ccc7ccccc7c6)ccc-4c35)ccc2c1 |
| InChI | InChI=1S/C58H36.C48H30.C42H26.C36H22/c1-4-11-44-32-47(27-20-37(44)8-1)40-16-23-42(24-17-40)54-35-56-52-15-7-14-51-50(49-29-22-39-10-3-6-13-46(39)34-49)30-31-53(58(51)52)57(56)36-55(54)43-25-18-41(19-26-43)48-28-21-38-9-2-5-12-45(38)33-48;1-3-13-31(14-4-1)44-30-43(33-27-25-32(26-28-33)42-29-36-17-7-8-20-37(36)38-21-9-10-22-39(38)42)46(35-15-5-2-6-16-35)48-41-24-12-19-34-18-11-23-40(45(34)41)47(44)48;1-3-8-31-24-33(18-16-27(31)6-1)29-12-14-30(15-13-29)34-20-21-37-40-23-22-36(35-19-17-28-7-2-4-9-32(28)25-35)38-10-5-11-39(42(38)40)41(37)26-34;1-3-8-25-20-27(14-12-23(25)6-1)28-16-17-31-34-19-18-30(29-15-13-24-7-2-4-9-26(24)21-29)32-10-5-11-33(36(32)34)35(31)22-28/h1-36H;1-30H;1-26H;1-22H |
| InChIKey | HUTPYDQXCBXWRQ-UHFFFAOYSA-N |
| XLogP | 51.67 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 14 |
| Heavy Atoms | 184 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2324.94 |
| LogP ≤ 5 | 51.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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