C194H124 — CID 161288409
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene (PubChem CID 161288409) has the molecular formula C194H124 and a molecular weight of 2455.13 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene.
| Compound Name | 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene |
|---|---|
| PubChem CID | 161288409 |
| Molecular Formula | C194H124 |
| Molecular Weight | 2455.13 g/mol |
| Exact Mass | 2452.97 |
| IUPAC Name | 9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)cc1 |
| InChI | InChI=1S/3C50H32.C44H28/c1-2-15-33(16-3-1)36-19-14-20-37(31-36)47-39-21-6-10-25-43(39)49(44-26-11-7-22-40(44)47)50-45-27-12-8-23-41(45)48(42-24-9-13-28-46(42)50)38-30-29-34-17-4-5-18-35(34)32-38;1-2-14-33(15-3-1)35-26-29-36(30-27-35)47-39-18-6-10-22-43(39)49(44-23-11-7-19-40(44)47)50-45-24-12-8-20-41(45)48(42-21-9-13-25-46(42)50)38-31-28-34-16-4-5-17-37(34)32-38;1-2-17-34(18-3-1)37-20-6-7-21-38(37)48-41-24-10-14-28-45(41)50(46-29-15-11-25-42(46)48)49-43-26-12-8-22-39(43)47(40-23-9-13-27-44(40)49)36-31-30-33-16-4-5-19-35(33)32-36;1-2-15-30(16-3-1)41-33-18-6-10-22-37(33)43(38-23-11-7-19-34(38)41)44-39-24-12-8-20-35(39)42(36-21-9-13-25-40(36)44)32-27-26-29-14-4-5-17-31(29)28-32/h3*1-32H;1-28H |
| InChIKey | VGAIZFOBMRJZHH-UHFFFAOYSA-N |
| XLogP | 54.82 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 194 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2455.13 |
| LogP ≤ 5 | 54.82 |
| 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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