C192H122O4 — CID 158865776
2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran (PubChem CID 158865776) has the molecular formula C192H122O4 and a molecular weight of 2493.08 g/mol. Its IUPAC name is 2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran.
| Compound Name | 2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran |
|---|---|
| PubChem CID | 158865776 |
| Molecular Formula | C192H122O4 |
| Molecular Weight | 2493.08 g/mol |
| Exact Mass | 2490.93 |
| IUPAC Name | 2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran |
| SMILES | c1ccc(-c2ccc3cc(-c4ccc5oc6ccc(-c7ccc8cc(-c9ccccc9)ccc8c7)cc6c5c4)ccc3c2)cc1.c1ccc(-c2ccc3ccc(-c4ccc5oc6ccc(-c7ccc8ccc(-c9ccccc9)cc8c7)cc6c5c4)cc3c2)cc1.c1ccc2cc(-c3ccc4cc(-c5ccc6oc7ccc(-c8ccc9cc(-c%10ccc%11ccccc%11c%10)ccc9c8)cc7c6c5)ccc4c3)ccc2c1.c1ccccc(-c2ccc3ccc(-c4ccc5oc6ccc(-c7ccc8ccc(-c9ccc%10ccccc%10c9)cc8c7)cc6c5c4)cc3c2)cccc1 |
| InChI | InChI=1S/C52H32O.C52H34O.2C44H28O/c1-3-7-35-25-37(11-9-33(35)5-1)39-13-15-43-29-45(19-17-41(43)27-39)47-21-23-51-49(31-47)50-32-48(22-24-52(50)53-51)46-20-18-42-28-40(14-16-44(42)30-46)38-12-10-34-6-2-4-8-36(34)26-38;1-2-4-6-10-35(11-7-5-3-1)40-19-15-37-17-22-43(31-47(37)29-40)45-24-26-51-49(33-45)50-34-46(25-27-52(50)53-51)44-23-18-38-16-21-42(30-48(38)32-44)41-20-14-36-12-8-9-13-39(36)28-41;1-3-7-29(8-4-1)33-15-11-31-13-17-35(25-39(31)23-33)37-19-21-43-41(27-37)42-28-38(20-22-44(42)45-43)36-18-14-32-12-16-34(24-40(32)26-36)30-9-5-2-6-10-30;1-3-7-29(8-4-1)31-11-13-35-25-37(17-15-33(35)23-31)39-19-21-43-41(27-39)42-28-40(20-22-44(42)45-43)38-18-16-34-24-32(12-14-36(34)26-38)30-9-5-2-6-10-30/h1-32H;1-34H;2*1-28H/b;2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,10-6+,11-7-,35-10+,35-11+;; |
| InChIKey | JBFFBUGUFNDTSD-NNKKETCXSA-N |
| XLogP | 54.83 |
| TPSA | 52.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 196 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2493.08 |
| LogP ≤ 5 | 54.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |