C184H120N4O4 — CID 162125811
4-[8-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[8-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]pyridine;4-[8-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine (PubChem CID 162125811) has the molecular formula C184H120N4O4 and a molecular weight of 2451.01 g/mol. Its IUPAC name is 4-[8-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[8-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]pyridine;4-[8-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine.
| Compound Name | 4-[8-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[8-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]pyridine;4-[8-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine |
|---|---|
| PubChem CID | 162125811 |
| Molecular Formula | C184H120N4O4 |
| Molecular Weight | 2451.01 g/mol |
| Exact Mass | 2448.93 |
| IUPAC Name | 4-[8-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[8-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]pyridine;4-[8-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine |
| SMILES | C1=CC(c2ccc(-c3ccc4oc5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5c4c3)c3ccccc23)=CCC1.c1ccc(-c2cc(-c3cccc4oc5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5c34)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4oc5ccc(-c6ccc7cc(-c8ccc9ccccc9c8)ccc7c6)cc5c34)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3cc(-c4ccc5oc6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)c6c5c4)ccc3c2)cc1 |
| InChI | InChI=1S/C49H31NO.C45H31NO.2C45H29NO/c1-3-11-33(12-4-1)45-30-42(31-46(50-45)34-13-5-2-6-14-34)43-16-9-17-48-49(43)44-29-41(24-25-47(44)51-48)40-23-22-38-27-37(20-21-39(38)28-40)36-19-18-32-10-7-8-15-35(32)26-36;1-4-13-30(14-5-1)35-24-25-36(39-20-11-10-19-38(35)39)33-23-26-43-40(27-33)45-37(21-12-22-44(45)47-43)34-28-41(31-15-6-2-7-16-31)46-42(29-34)32-17-8-3-9-18-32;1-4-11-30(12-5-1)33-19-20-35-26-36(22-21-34(35)25-33)37-23-24-43-40(27-37)45-39(17-10-18-44(45)47-43)38-28-41(31-13-6-2-7-14-31)46-42(29-38)32-15-8-3-9-16-32;1-3-11-33(12-4-1)41-28-38(29-42(46-41)34-13-5-2-6-14-34)39-16-9-17-44-45(39)40-27-37(24-25-43(40)47-44)32-20-18-31(19-21-32)36-23-22-30-10-7-8-15-35(30)26-36/h1-31H;2-4,6-29H,1,5H2;2*1-29H |
| InChIKey | ZHZXORQSEJBTRH-UHFFFAOYSA-N |
| XLogP | 51.10 |
| TPSA | 104.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 192 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2451.01 |
| LogP ≤ 5 | 51.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |