C280H178 — CID 158406092
2,9-dinaphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-2,10-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2,9,10-trinaphthalen-2-ylanthracene (PubChem CID 158406092) has the molecular formula C280H178 and a molecular weight of 3542.50 g/mol. Its IUPAC name is 2,9-dinaphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-2,10-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2,9,10-trinaphthalen-2-ylanthracene.
| Compound Name | 2,9-dinaphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-2,10-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2,9,10-trinaphthalen-2-ylanthracene |
|---|---|
| PubChem CID | 158406092 |
| Molecular Formula | C280H178 |
| Molecular Weight | 3542.50 g/mol |
| Exact Mass | 3539.39 |
| IUPAC Name | 2,9-dinaphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-2,10-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2,9,10-trinaphthalen-2-ylanthracene |
| SMILES | c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccc(-c6ccc7ccccc7c6)cc45)cc3)ccc2c1.c1ccc2cc(-c3ccc4c(-c5cc6ccccc6c6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1.c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1.c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5cccc6ccccc56)c4c3)ccc2c1.c1ccc2cc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c4c3)ccc2c1.c1ccc2cc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1 |
| InChI | InChI=1S/2C50H32.C48H30.3C44H28/c1-3-13-38-30-40(26-22-33(38)10-1)35-20-24-37(25-21-35)49-45-17-7-8-18-46(45)50(44-19-9-15-36-12-5-6-16-43(36)44)47-29-28-42(32-48(47)49)41-27-23-34-11-2-4-14-39(34)31-41;1-2-14-38-31-39(28-23-33(38)11-1)40-29-30-47-48(32-40)49(37-26-24-36(25-27-37)42-21-9-15-34-12-3-5-17-41(34)42)45-19-7-8-20-46(45)50(47)44-22-10-16-35-13-4-6-18-43(35)44;1-3-13-33-27-35(23-21-31(33)11-1)36-25-26-44-46(29-36)47(38-24-22-32-12-2-4-14-34(32)28-38)42-19-9-10-20-43(42)48(44)45-30-37-15-5-6-16-39(37)40-17-7-8-18-41(40)45;1-4-12-32-25-35(20-17-29(32)9-1)36-23-24-41-42(28-36)44(38-22-19-31-11-3-6-14-34(31)27-38)40-16-8-7-15-39(40)43(41)37-21-18-30-10-2-5-13-33(30)26-37;1-3-13-32-26-34(22-20-29(32)10-1)35-24-25-41-42(28-35)43(36-23-21-30-11-2-4-14-33(30)27-36)39-17-7-8-18-40(39)44(41)38-19-9-15-31-12-5-6-16-37(31)38;1-3-13-32-26-34(22-20-29(32)10-1)35-24-25-41-42(28-35)44(38-19-9-15-31-12-5-6-16-37(31)38)40-18-8-7-17-39(40)43(41)36-23-21-30-11-2-4-14-33(30)27-36/h2*1-32H;1-30H;3*1-28H |
| InChIKey | GYSGODCNCUWEHK-UHFFFAOYSA-N |
| XLogP | 79.21 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 20 |
| Heavy Atoms | 280 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3542.50 |
| LogP ≤ 5 | 79.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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