C256H164 — CID 157305293
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene (PubChem CID 157305293) has the molecular formula C256H164 and a molecular weight of 3240.13 g/mol. Its IUPAC name is 9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene.
| Compound Name | 9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene |
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| PubChem CID | 157305293 |
| Molecular Formula | C256H164 |
| Molecular Weight | 3240.13 g/mol |
| Exact Mass | 3237.28 |
| IUPAC Name | 9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene |
| SMILES | c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(ccc6ccccc65)c4)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(ccc6ccccc65)c4)c4ccccc34)c2)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/4C44H28.2C40H26/c1-3-16-35-29(11-1)13-10-22-37(35)31-14-9-15-33(27-31)43-39-18-5-7-20-41(39)44(42-21-8-6-19-40(42)43)34-25-26-38-32(28-34)24-23-30-12-2-4-17-36(30)38;1-3-13-35-29(10-1)12-9-19-37(35)31-20-23-32(24-21-31)43-39-15-5-7-17-41(39)44(42-18-8-6-16-40(42)43)34-26-27-38-33(28-34)25-22-30-11-2-4-14-36(30)38;1-2-12-31-26-33(22-20-29(31)10-1)32-13-9-14-35(27-32)43-39-16-5-7-18-41(39)44(42-19-8-6-17-40(42)43)36-24-25-38-34(28-36)23-21-30-11-3-4-15-37(30)38;1-2-11-33-27-34(23-19-29(33)9-1)30-17-21-32(22-18-30)43-39-13-5-7-15-41(39)44(42-16-8-6-14-40(42)43)36-25-26-38-35(28-36)24-20-31-10-3-4-12-37(31)38;1-2-11-27(12-3-1)29-14-10-15-31(25-29)39-35-17-6-8-19-37(35)40(38-20-9-7-18-36(38)39)32-23-24-34-30(26-32)22-21-28-13-4-5-16-33(28)34;1-2-10-27(11-3-1)28-18-21-30(22-19-28)39-35-14-6-8-16-37(35)40(38-17-9-7-15-36(38)39)32-24-25-34-31(26-32)23-20-29-12-4-5-13-33(29)34/h4*1-28H;2*1-26H |
| InChIKey | BCJWHOJWCWAAJU-UHFFFAOYSA-N |
| XLogP | 72.42 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 18 |
| Heavy Atoms | 256 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3240.13 |
| LogP ≤ 5 | 72.42 |
| 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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