3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
C177H123N9O6 — CID 157467870
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
SMILESCOc1ccc(-c2c3ccccc3c(-c3cc4ccccc4cn3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3cc4ncccc4cn3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3cnc4ccccc4c3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3cnc4ccccc4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3ncc4ccccc4n3)c3ccccc23)cc1
InChIInChI=1S/3C30H21NO.3C29H20N2O/c1-32-22-17-14-21(15-18-22)29-23-9-3-5-11-25(23)30(26-12-6-4-10-24(26)29)28-19-16-20-8-2-7-13-27(20)31-28;1-32-23-16-14-20(15-17-23)29-24-9-3-5-11-26(24)30(27-12-6-4-10-25(27)29)22-18-21-8-2-7-13-28(21)31-19-22;1-32-23-16-14-20(15-17-23)29-24-10-4-6-12-26(24)30(27-13-7-5-11-25(27)29)28-18-21-8-2-3-9-22(21)19-31-28;1-32-21-16-14-19(15-17-21)27-22-9-3-5-11-24(22)28(25-12-6-4-10-23(25)27)29-30-18-20-8-2-7-13-26(20)31-29;1-32-21-14-12-19(13-15-21)28-22-8-2-4-10-24(22)29(25-11-5-3-9-23(25)28)27-17-26-20(18-31-27)7-6-16-30-26;1-32-20-16-14-19(15-17-20)28-21-8-2-4-10-23(21)29(24-11-5-3-9-22(24)28)27-18-30-25-12-6-7-13-26(25)31-27/h3*2-19H,1H3;3*2-18H,1H3
InChIKeyBUROXBXHPPCROT-UHFFFAOYSA-N
MW2471.99 g/mol
LogP45.49
Rot. Bonds18
About 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline (PubChem CID 157467870) has the molecular formula C177H123N9O6 and a molecular weight of 2471.99 g/mol. Its IUPAC name is 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline.
Molecular Properties
| Compound Name | 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline |
|---|---|
| PubChem CID | 157467870 |
| Molecular Formula | C177H123N9O6 |
| Molecular Weight | 2471.99 g/mol |
| Exact Mass | 2469.96 |
| IUPAC Name | 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline |
| SMILES | COc1ccc(-c2c3ccccc3c(-c3cc4ccccc4cn3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3cc4ncccc4cn3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3cnc4ccccc4c3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3cnc4ccccc4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3ncc4ccccc4n3)c3ccccc23)cc1 |
| InChI | InChI=1S/3C30H21NO.3C29H20N2O/c1-32-22-17-14-21(15-18-22)29-23-9-3-5-11-25(23)30(26-12-6-4-10-24(26)29)28-19-16-20-8-2-7-13-27(20)31-28;1-32-23-16-14-20(15-17-23)29-24-9-3-5-11-26(24)30(27-12-6-4-10-25(27)29)22-18-21-8-2-7-13-28(21)31-19-22;1-32-23-16-14-20(15-17-23)29-24-10-4-6-12-26(24)30(27-13-7-5-11-25(27)29)28-18-21-8-2-3-9-22(21)19-31-28;1-32-21-16-14-19(15-17-21)27-22-9-3-5-11-24(22)28(25-12-6-4-10-23(25)27)29-30-18-20-8-2-7-13-26(20)31-29;1-32-21-14-12-19(13-15-21)28-22-8-2-4-10-24(22)29(25-11-5-3-9-23(25)28)27-17-26-20(18-31-27)7-6-16-30-26;1-32-20-16-14-19(15-17-20)28-21-8-2-4-10-23(21)29(24-11-5-3-9-22(24)28)27-18-30-25-12-6-7-13-26(25)31-27/h3*2-19H,1H3;3*2-18H,1H3 |
| InChIKey | BUROXBXHPPCROT-UHFFFAOYSA-N |
| XLogP | 45.49 |
| TPSA | 171.39 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 192 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2471.99 |
| LogP ≤ 5 | 45.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline?
The IUPAC name of 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline (CID 157467870) is 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline.
What is the SMILES notation for 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline?
The canonical SMILES for 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline is COc1ccc(-c2c3ccccc3c(-c3cc4ccccc4cn3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3cc4ncccc4cn3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3cnc4ccccc4c3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3cnc4ccccc4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3ncc4ccccc4n3)c3ccccc23)cc1.
What is the InChIKey of 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline?
The InChIKey is BUROXBXHPPCROT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C30H21NO.3C29H20N2O/c1-32-22-17-14-21(15-18-22)29-23-9-3-5-11-25(23)30(26-12-6-4-10-24(26)29)28-19-16-20-8-2-7-13-27(20)31-28;1-32-23-16-14-20(15-17-23)29-24-9-3-5-11-26(24)30(27-12-6-4-10-25(27)29)22-18-21-8-2-7-13-28(21)31-19-22;1-32-23-16-14-20(15-17-23)29-24-10-4-6-12-26(24)30(27-13-7-5-11-25(27)29)28-18-21-8-2-3-9-22(21)19-31-28;1-32-21-16-14-19(15-17-21)27-22-9-3-5-11-24(22)28(25-12-6-4-10-23(25)27)29-30-18-20-8-2-7-13-26(20)31-29;1-32-21-14-12-19(13-15-21)28-22-8-2-4-10-24(22)29(25-11-5-3-9-23(25)28)27-17-26-20(18-31-27)7-6-16-30-26;1-32-20-16-14-19(15-17-20)28-21-8-2-4-10-23(21)29(24-11-5-3-9-22(24)28)27-18-30-25-12-6-7-13-26(25)31-27/h3*2-19H,1H3;3*2-18H,1H3.
What are the key properties of 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline?
3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline has a molecular weight of 2471.99 g/mol, XLogP of 45.49, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(4-methoxyphenyl)anthracen-9-yl]isoquinoline;7-[10-(4-methoxyphenyl)anthracen-9-yl]-1,6-naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinazoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;3-[10-(4-methoxyphenyl)anthracen-9-yl]quinoline;2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline is sourced from PubChem (CID 157467870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157467870 — identifiers, structure, computed properties (public domain)
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