C258H164 — CID 160962271
9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-phenanthren-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene (PubChem CID 160962271) has the molecular formula C258H164 and a molecular weight of 3264.15 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-phenanthren-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene.
| Compound Name | 9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-phenanthren-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene |
|---|---|
| PubChem CID | 160962271 |
| Molecular Formula | C258H164 |
| Molecular Weight | 3264.15 g/mol |
| Exact Mass | 3261.28 |
| IUPAC Name | 9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-phenanthren-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene |
| SMILES | c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cccc6c5ccc5ccccc56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7c6ccc6ccccc67)c6ccccc56)ccc4c3)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7c6ccc6ccccc67)c6ccccc56)ccc4c3)ccc2c1 |
| InChI | InChI=1S/2C48H30.2C44H28.C38H24.C36H24/c1-3-14-37-31(11-1)13-9-20-39(37)35-25-23-34-30-36(26-24-33(34)29-35)47-43-16-5-7-18-45(43)48(46-19-8-6-17-44(46)47)42-22-10-21-40-38-15-4-2-12-32(38)27-28-41(40)42;1-2-12-33-28-34(21-20-31(33)10-1)35-22-23-37-30-38(25-24-36(37)29-35)47-43-14-5-7-16-45(43)48(46-17-8-6-15-44(46)47)42-19-9-18-40-39-13-4-3-11-32(39)26-27-41(40)42;1-3-13-31-27-33(23-21-29(31)11-1)35-25-26-42(37-16-6-5-15-36(35)37)44-40-19-9-7-17-38(40)43(39-18-8-10-20-41(39)44)34-24-22-30-12-2-4-14-32(30)28-34;1-2-11-29(12-3-1)31-21-22-33-28-34(24-23-32(33)27-31)43-39-15-6-8-17-41(39)44(42-18-9-7-16-40(42)43)38-20-10-19-36-35-14-5-4-13-30(35)25-26-37(36)38;1-2-12-27-24-28(21-20-25(27)10-1)37-33-14-5-7-16-35(33)38(36-17-8-6-15-34(36)37)32-19-9-18-30-29-13-4-3-11-26(29)22-23-31(30)32;1-2-13-25(14-3-1)27-18-6-7-19-29(27)35-31-20-8-10-22-33(31)36(34-23-11-9-21-32(34)35)30-24-12-16-26-15-4-5-17-28(26)30/h2*1-30H;2*1-28H;1-24H;1-24H |
| InChIKey | SXDULDFMROINEC-UHFFFAOYSA-N |
| XLogP | 73.05 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 17 |
| Heavy Atoms | 258 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3264.15 |
| LogP ≤ 5 | 73.05 |
| 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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