C156H102 — CID 161206323
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene (PubChem CID 161206323) has the molecular formula C156H102 and a molecular weight of 1976.53 g/mol. Its IUPAC name is 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene.
| Compound Name | 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene |
|---|---|
| PubChem CID | 161206323 |
| Molecular Formula | C156H102 |
| Molecular Weight | 1976.53 g/mol |
| Exact Mass | 1974.80 |
| IUPAC Name | 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1 |
| InChI | InChI=1S/3C52H34/c1-3-17-35(18-4-1)37-21-15-23-39(33-37)49-41-25-7-11-29-45(41)51(46-30-12-8-26-42(46)49)52-47-31-13-9-27-43(47)50(44-28-10-14-32-48(44)52)40-24-16-22-38(34-40)36-19-5-2-6-20-36;1-3-15-35(16-4-1)37-27-31-39(32-28-37)49-41-19-7-11-23-45(41)51(46-24-12-8-20-42(46)49)52-47-25-13-9-21-43(47)50(44-22-10-14-26-48(44)52)40-33-29-38(30-34-40)36-17-5-2-6-18-36;1-3-19-35(20-4-1)37-23-7-9-25-39(37)49-41-27-11-15-31-45(41)51(46-32-16-12-28-42(46)49)52-47-33-17-13-29-43(47)50(44-30-14-18-34-48(44)52)40-26-10-8-24-38(40)36-21-5-2-6-22-36/h3*1-34H |
| InChIKey | UVQJIPMAQHSLCC-UHFFFAOYSA-N |
| XLogP | 43.90 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 156 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1976.53 |
| LogP ≤ 5 | 43.90 |
| 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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