C200H130 — CID 159673452
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(3-phenylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene (PubChem CID 159673452) has the molecular formula C200H130 and a molecular weight of 2533.24 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(3-phenylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene.
| Compound Name | 9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(3-phenylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene |
|---|---|
| PubChem CID | 159673452 |
| Molecular Formula | C200H130 |
| Molecular Weight | 2533.24 g/mol |
| Exact Mass | 2531.02 |
| IUPAC Name | 9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(3-phenylnaphthalen-1-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene |
| SMILES | c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc3c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C44H28.C42H28.2C40H26.C34H22/c1-2-14-31-28-32(25-24-29(31)12-1)43-38-19-7-9-21-40(38)44(41-22-10-8-20-39(41)43)42-27-26-37(35-17-5-6-18-36(35)42)34-23-11-15-30-13-3-4-16-33(30)34;1-2-13-29(14-3-1)30-25-27-32(28-26-30)34-18-6-7-19-35(34)41-37-20-8-10-22-39(37)42(40-23-11-9-21-38(40)41)36-24-12-16-31-15-4-5-17-33(31)36;1-2-13-28(14-3-1)31-24-25-38(33-17-7-6-16-32(31)33)40-36-20-10-8-18-34(36)39(35-19-9-11-21-37(35)40)30-23-22-27-12-4-5-15-29(27)26-30;1-2-12-27(13-3-1)32-25-30-16-6-7-17-33(30)38(26-32)40-36-20-10-8-18-34(36)39(35-19-9-11-21-37(35)40)31-23-22-28-14-4-5-15-29(28)24-31;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-28H;1-28H;2*1-26H;1-22H |
| InChIKey | MUHGGALILFPOHT-UHFFFAOYSA-N |
| XLogP | 56.50 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 200 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2533.24 |
| LogP ≤ 5 | 56.50 |
| 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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