C260H168 — CID 159751343
9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;9-phenyl-10-(6-phenylnaphthalen-2-yl)anthracene (PubChem CID 159751343) has the molecular formula C260H168 and a molecular weight of 3292.20 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;9-phenyl-10-(6-phenylnaphthalen-2-yl)anthracene.
| Compound Name | 9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;9-phenyl-10-(6-phenylnaphthalen-2-yl)anthracene |
|---|---|
| PubChem CID | 159751343 |
| Molecular Formula | C260H168 |
| Molecular Weight | 3292.20 g/mol |
| Exact Mass | 3289.31 |
| IUPAC Name | 9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;9-phenyl-10-(6-phenylnaphthalen-2-yl)anthracene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4c3ccc3cc5ccccc5cc34)c3ccccc23)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc3c2)cc1 |
| InChI | InChI=1S/2C40H26.2C38H24.C36H24.2C34H22/c1-2-11-27(12-3-1)29-21-22-31-26-32(24-23-30(31)25-29)39-35-16-6-8-18-37(35)40(38-19-9-7-17-36(38)39)34-20-10-14-28-13-4-5-15-33(28)34;1-2-10-27(11-3-1)30-19-20-32-26-34(23-21-31(32)24-30)40-37-16-8-6-14-35(37)39(36-15-7-9-17-38(36)40)33-22-18-28-12-4-5-13-29(28)25-33;1-2-11-25(12-3-1)37-32-15-6-8-17-34(32)38(35-18-9-7-16-33(35)37)31-20-10-19-29-30(31)22-21-28-23-26-13-4-5-14-27(26)24-36(28)29;1-2-13-26(14-3-1)36-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)36)35-24-27-23-22-25-12-4-5-15-28(25)37(27)30-17-7-6-16-29(30)35;1-3-11-25(12-4-1)27-19-20-29-24-30(22-21-28(29)23-27)36-33-17-9-7-15-31(33)35(26-13-5-2-6-14-26)32-16-8-10-18-34(32)36;1-2-11-25(12-3-1)33-28-14-6-8-16-30(28)34(31-17-9-7-15-29(31)33)26-21-20-24-19-18-23-10-4-5-13-27(23)32(24)22-26;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32/h2*1-26H;2*1-24H;1-24H;2*1-22H |
| InChIKey | NDRPAVVQNPZJLC-UHFFFAOYSA-N |
| XLogP | 73.59 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 17 |
| Heavy Atoms | 260 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3292.20 |
| LogP ≤ 5 | 73.59 |
| 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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