C234H152 — CID 160634464
9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene (PubChem CID 160634464) has the molecular formula C234H152 and a molecular weight of 2963.79 g/mol. Its IUPAC name is 9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene.
| Compound Name | 9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene |
|---|---|
| PubChem CID | 160634464 |
| Molecular Formula | C234H152 |
| Molecular Weight | 2963.79 g/mol |
| Exact Mass | 2961.19 |
| IUPAC Name | 9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene |
| SMILES | c1ccc(-c2ccc(-c3c4ccc(-c5ccc6ccccc6c5)cc4c(-c4ccc(-c5ccccc5)cc4)c4c3ccc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccc(-c5ccccc5)cc4)c4c3ccc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1.c1ccc2cc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccc5ccccc5c4)c4c3ccc3ccccc34)ccc2c1.c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccc6ccccc6c5c(-c5ccc6ccccc6c5)c4c3)ccc2c1 |
| InChI | InChI=1S/C52H34.2C48H30.C48H32.C38H26/c1-3-11-35(12-4-1)38-19-24-41(25-20-38)50-47-31-30-45(44-28-23-37-15-7-8-17-43(37)33-44)34-49(47)51(52-46-18-10-9-16-40(46)29-32-48(50)52)42-26-21-39(22-27-42)36-13-5-2-6-14-36;1-4-13-35-27-38(20-17-31(35)9-1)39-24-25-43-45(30-39)47(41-22-19-33-11-3-6-15-37(33)29-41)48-42-16-8-7-12-34(42)23-26-44(48)46(43)40-21-18-32-10-2-5-14-36(32)28-40;1-3-14-35-28-38(22-20-31(35)10-1)46-43-26-25-37(41-19-9-16-33-12-5-7-17-40(33)41)30-45(43)47(39-23-21-32-11-2-4-15-36(32)29-39)48-42-18-8-6-13-34(42)24-27-44(46)48;1-4-12-33(13-5-1)36-20-24-39(25-21-36)46-43-30-29-41(35-16-8-3-9-17-35)32-45(43)47(48-42-19-11-10-18-38(42)28-31-44(46)48)40-26-22-37(23-27-40)34-14-6-2-7-15-34;1-3-11-27(12-4-1)29-19-23-31(24-20-29)37-33-15-7-9-17-35(33)38(36-18-10-8-16-34(36)37)32-25-21-30(22-26-32)28-13-5-2-6-14-28/h1-34H;2*1-30H;1-32H;1-26H |
| InChIKey | RIIYMQFXBBTQSY-UHFFFAOYSA-N |
| XLogP | 65.99 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 20 |
| Heavy Atoms | 234 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2963.79 |
| LogP ≤ 5 | 65.99 |
| 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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