C134H82O3 — CID 164965808
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (PubChem CID 164965808) has the molecular formula C134H82O3 and a molecular weight of 1740.13 g/mol. Its IUPAC name is 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.
| Compound Name | 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran |
|---|---|
| PubChem CID | 164965808 |
| Molecular Formula | C134H82O3 |
| Molecular Weight | 1740.13 g/mol |
| Exact Mass | 1738.63 |
| IUPAC Name | 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran |
| SMILES | c1ccc(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cc(-c5cccc6ccccc56)c5oc6ccccc6c5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3cc4oc5ccccc5c4cc3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1 |
| InChI | InChI=1S/2C46H28O.C42H26O/c1-3-17-32-29(13-1)15-11-24-34(32)41-27-31(28-42-35-19-9-10-26-43(35)47-46(41)42)44-37-20-5-7-22-39(37)45(40-23-8-6-21-38(40)44)36-25-12-16-30-14-2-4-18-33(30)36;1-3-17-31-29(13-1)15-11-24-33(31)40-28-44-41(34-19-9-10-26-43(34)47-44)27-42(40)46-38-22-7-5-20-36(38)45(37-21-6-8-23-39(37)46)35-25-12-16-30-14-2-4-18-32(30)35;1-2-12-28(13-3-1)32-19-10-20-37-38-26-31(23-24-39(38)43-42(32)37)41-35-17-8-6-15-33(35)40(34-16-7-9-18-36(34)41)30-22-21-27-11-4-5-14-29(27)25-30/h2*1-28H;1-26H |
| InChIKey | CLSNSVBVOLLLHE-UHFFFAOYSA-N |
| XLogP | 38.45 |
| TPSA | 39.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 137 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1740.13 |
| LogP ≤ 5 | 38.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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