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

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 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).