C260H162 — CID 157157236
9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene (PubChem CID 157157236) has the molecular formula C260H162 and a molecular weight of 3286.16 g/mol. Its IUPAC name is 9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene.
| Compound Name | 9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene |
|---|---|
| PubChem CID | 157157236 |
| Molecular Formula | C260H162 |
| Molecular Weight | 3286.16 g/mol |
| Exact Mass | 3283.27 |
| IUPAC Name | 9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cc4cccc5ccc6cccc3c6c54)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cc5cccc6ccc7cccc4c7c65)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cc5cccc6ccc7cccc4c7c65)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/2C40H24.2C38H24.C36H22.2C34H22/c1-2-15-29-25(10-1)11-8-20-30(29)39-31-16-3-5-18-33(31)40(34-19-6-4-17-32(34)39)36-24-28-14-7-12-26-22-23-27-13-9-21-35(36)38(27)37(26)28;1-2-10-28-23-30(22-19-25(28)9-1)38-31-14-3-5-16-33(31)40(34-17-6-4-15-32(34)38)36-24-29-13-7-11-26-20-21-27-12-8-18-35(36)39(27)37(26)29;1-3-15-27-25(12-1)14-11-23-31(27)37-32-19-7-9-21-34(32)38(35-22-10-8-20-33(35)37)36-24-26-13-2-4-16-28(26)29-17-5-6-18-30(29)36;1-2-12-26-23-28(22-21-25(26)11-1)37-32-17-7-9-19-34(32)38(35-20-10-8-18-33(35)37)36-24-27-13-3-4-14-29(27)30-15-5-6-16-31(30)36;1-2-10-23(11-3-1)34-27-15-4-6-17-29(27)36(30-18-7-5-16-28(30)34)32-22-26-14-8-12-24-20-21-25-13-9-19-31(32)35(25)33(24)26;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28/h2*1-24H;2*1-24H;1-22H;2*1-22H |
| InChIKey | ALYLDCHBDGPRFL-UHFFFAOYSA-N |
| XLogP | 73.82 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 14 |
| Heavy Atoms | 260 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3286.16 |
| LogP ≤ 5 | 73.82 |
| 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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