C266H174 — CID 163889905
9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(5-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene;9-(5-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(7-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene (PubChem CID 163889905) has the molecular formula C266H174 and a molecular weight of 3370.32 g/mol. Its IUPAC name is 9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(5-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene;9-(5-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(7-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene.
| Compound Name | 9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(5-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene;9-(5-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(7-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 163889905 |
| Molecular Formula | C266H174 |
| Molecular Weight | 3370.32 g/mol |
| Exact Mass | 3367.36 |
| IUPAC Name | 9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(5-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene;9-(5-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(7-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(-c6ccccc6)cccc5c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccc(-c6ccccc6)cc5c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)cc3c2)cc1.c1ccc(-c2cccc3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc23)cc1 |
| InChI | InChI=1S/3C46H30.C44H28.2C42H28/c1-3-14-31(15-4-1)35-25-13-18-33-30-34(26-27-37(33)35)45-40-21-9-11-23-42(40)46(43-24-12-10-22-41(43)45)44-29-28-36(32-16-5-2-6-17-32)38-19-7-8-20-39(38)44;1-3-13-31(14-4-1)34-25-23-32-24-26-35(30-36(32)29-34)45-40-19-9-11-21-42(40)46(43-22-12-10-20-41(43)45)44-28-27-37(33-15-5-2-6-16-33)38-17-7-8-18-39(38)44;1-3-13-31(14-4-1)33-23-24-35-30-36(26-25-34(35)29-33)45-40-19-9-11-21-42(40)46(43-22-12-10-20-41(43)45)44-28-27-37(32-15-5-2-6-16-32)38-17-7-8-18-39(38)44;1-2-12-29(13-3-1)30-22-23-32-27-34(25-24-31(32)26-30)43-38-18-8-10-20-40(38)44(41-21-11-9-19-39(41)43)42-28-33-14-4-5-15-35(33)36-16-6-7-17-37(36)42;1-3-12-29(13-4-1)30-22-24-32(25-23-30)41-37-17-7-9-19-39(37)42(40-20-10-8-18-38(40)41)34-26-27-36-33(28-34)16-11-21-35(36)31-14-5-2-6-15-31;1-3-11-29(12-4-1)31-19-23-33(24-20-31)41-37-15-7-9-17-39(37)42(40-18-10-8-16-38(40)41)35-26-22-32-21-25-34(27-36(32)28-35)30-13-5-2-6-14-30/h3*1-30H;1-28H;2*1-28H |
| InChIKey | QAQYXWVRMAWDMO-UHFFFAOYSA-N |
| XLogP | 74.98 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 23 |
| Heavy Atoms | 266 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3370.32 |
| LogP ≤ 5 | 74.98 |
| 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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