C196H130 — CID 158371544
9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene (PubChem CID 158371544) has the molecular formula C196H130 and a molecular weight of 2485.20 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene.
| Compound Name | 9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene |
|---|---|
| PubChem CID | 158371544 |
| Molecular Formula | C196H130 |
| Molecular Weight | 2485.20 g/mol |
| Exact Mass | 2483.02 |
| IUPAC Name | 9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/2C42H28.C40H26.2C36H24/c1-3-13-29(14-4-1)34-26-35(30-15-5-2-6-16-30)28-36(27-34)42-39-21-11-9-19-37(39)41(38-20-10-12-22-40(38)42)33-24-23-31-17-7-8-18-32(31)25-33;1-2-12-29(13-3-1)31-22-25-32(26-23-31)35-16-6-7-17-36(35)42-39-20-10-8-18-37(39)41(38-19-9-11-21-40(38)42)34-27-24-30-14-4-5-15-33(30)28-34;1-2-12-31-26-32(25-20-27(31)10-1)40-37-17-7-5-15-35(37)39(36-16-6-8-18-38(36)40)30-23-21-29(22-24-30)34-19-9-13-28-11-3-4-14-33(28)34;1-2-10-25(11-3-1)27-18-21-28(22-19-27)35-31-14-6-8-16-33(31)36(34-17-9-7-15-32(34)35)30-23-20-26-12-4-5-13-29(26)24-30;1-2-13-26(14-3-1)29-16-6-7-17-30(29)36-33-20-10-8-18-31(33)35(32-19-9-11-21-34(32)36)28-23-22-25-12-4-5-15-27(25)24-28/h2*1-28H;1-26H;2*1-24H |
| InChIKey | GURCNCRZWVUSBY-UHFFFAOYSA-N |
| XLogP | 55.22 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 17 |
| Heavy Atoms | 196 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2485.20 |
| LogP ≤ 5 | 55.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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