C216H142O — CID 163912161
2-(4,5-diphenylanthracen-9-yl)dibenzofuran;10-naphthalen-1-yl-1,8-bis(4-phenylphenyl)anthracene;10-naphthalen-1-yl-1,8-diphenylanthracene;1,8,10-trinaphthalen-2-ylanthracene;1,8,10-tris(4-phenylphenyl)anthracene (PubChem CID 163912161) has the molecular formula C216H142O and a molecular weight of 2753.51 g/mol. Its IUPAC name is 2-(4,5-diphenylanthracen-9-yl)dibenzofuran;10-naphthalen-1-yl-1,8-bis(4-phenylphenyl)anthracene;10-naphthalen-1-yl-1,8-diphenylanthracene;1,8,10-trinaphthalen-2-ylanthracene;1,8,10-tris(4-phenylphenyl)anthracene.
| Compound Name | 2-(4,5-diphenylanthracen-9-yl)dibenzofuran;10-naphthalen-1-yl-1,8-bis(4-phenylphenyl)anthracene;10-naphthalen-1-yl-1,8-diphenylanthracene;1,8,10-trinaphthalen-2-ylanthracene;1,8,10-tris(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 163912161 |
| Molecular Formula | C216H142O |
| Molecular Weight | 2753.51 g/mol |
| Exact Mass | 2751.11 |
| IUPAC Name | 2-(4,5-diphenylanthracen-9-yl)dibenzofuran;10-naphthalen-1-yl-1,8-bis(4-phenylphenyl)anthracene;10-naphthalen-1-yl-1,8-diphenylanthracene;1,8,10-trinaphthalen-2-ylanthracene;1,8,10-tris(4-phenylphenyl)anthracene |
| SMILES | c1ccc(-c2ccc(-c3cccc4c(-c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccc(-c7ccccc7)cc6)c5cc34)cc2)cc1.c1ccc(-c2ccc(-c3cccc4c(-c5cccc6ccccc56)c5cccc(-c6ccc(-c7ccccc7)cc6)c5cc34)cc2)cc1.c1ccc(-c2cccc3c(-c4ccc5oc6ccccc6c5c4)c4cccc(-c5ccccc5)c4cc23)cc1.c1ccc(-c2cccc3c(-c4cccc5ccccc45)c4cccc(-c5ccccc5)c4cc23)cc1.c1ccc2cc(-c3cccc4c(-c5ccc6ccccc6c5)c5cccc(-c6ccc7ccccc7c6)c5cc34)ccc2c1 |
| InChI | InChI=1S/C50H34.C48H32.C44H28.C38H24O.C36H24/c1-4-12-35(13-5-1)38-22-28-41(29-23-38)44-18-10-20-46-48(44)34-49-45(42-30-24-39(25-31-42)36-14-6-2-7-15-36)19-11-21-47(49)50(46)43-32-26-40(27-33-43)37-16-8-3-9-17-37;1-3-12-33(13-4-1)35-24-28-38(29-25-35)41-19-10-22-44-46(41)32-47-42(39-30-26-36(27-31-39)34-14-5-2-6-15-34)20-11-23-45(47)48(44)43-21-9-17-37-16-7-8-18-40(37)43;1-4-12-32-25-35(22-19-29(32)9-1)38-15-7-17-40-42(38)28-43-39(36-23-20-30-10-2-5-13-33(30)26-36)16-8-18-41(43)44(40)37-24-21-31-11-3-6-14-34(31)27-37;1-3-11-25(12-4-1)28-16-9-18-31-33(28)24-34-29(26-13-5-2-6-14-26)17-10-19-32(34)38(31)27-21-22-37-35(23-27)30-15-7-8-20-36(30)39-37;1-3-12-25(13-4-1)29-19-10-22-32-34(29)24-35-30(26-14-5-2-6-15-26)20-11-23-33(35)36(32)31-21-9-17-27-16-7-8-18-28(27)31/h1-34H;1-32H;1-28H;1-24H;1-24H |
| InChIKey | QTBAUVGHIAYBFK-UHFFFAOYSA-N |
| XLogP | 60.97 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 217 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2753.51 |
| LogP ≤ 5 | 60.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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