2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline)

C141H119N11+6 — CID 160592799

About 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline)

2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline) (PubChem CID 160592799) has the molecular formula C141H119N11+6 and a molecular weight of 1967.58 g/mol. Its IUPAC name is 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline).

Molecular Properties

• Compound Name: 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline)
• PubChem CID: 160592799
• Molecular Formula: C141H119N11+6
• Molecular Weight: 1967.58 g/mol
• Exact Mass: 1965.96
• IUPAC Name: 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline)
• SMILES: Cc1ccc(-c2ccc3cccnc3c2)cc1-c1cccc[n+]1C.Cc1ccc(-c2ccc3ncccc3c2)cc1-c1cccc[n+]1C.Cc1ccc(-c2cccc3cc4ccccc4cc23)cc1-c1cccc[n+]1C.Cc1ccc(-c2cccc3cccnc23)cc1-c1cccc[n+]1C.Cc1ccc(-c2cccc3cccnc23)cc1-c1cccc[n+]1C.Cc1ccc(-c2cccc3nc4ccccc4cc23)cc1-c1cccc[n+]1C
• InChI: InChI=1S/C27H22N.C26H21N2.4C22H19N2/c1-19-13-14-23(18-25(19)27-12-5-6-15-28(27)2)24-11-7-10-22-16-20-8-3-4-9-21(20)17-26(22)24;1-18-13-14-19(16-22(18)26-12-5-6-15-28(26)2)21-9-7-11-25-23(21)17-20-8-3-4-10-24(20)27-25;2*1-16-11-12-18(15-20(16)21-10-3-4-14-24(21)2)19-9-5-7-17-8-6-13-23-22(17)19;1-16-8-9-18(15-20(16)22-7-3-4-13-24(22)2)17-10-11-21-19(14-17)6-5-12-23-21;1-16-8-9-18(14-20(16)22-7-3-4-13-24(22)2)19-11-10-17-6-5-12-23-21(17)15-19/h3-18H,1-2H3;3-17H,1-2H3;4*3-15H,1-2H3/q6*+1
• InChIKey: BINHFGOBCZFRJG-UHFFFAOYSA-N
• XLogP: 31.12
• TPSA: 87.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1967.58
LogP ≤ 5	31.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline)?

The IUPAC name of 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline) (CID 160592799) is 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline).

What is the SMILES notation for 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline)?

The canonical SMILES for 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline) is Cc1ccc(-c2ccc3cccnc3c2)cc1-c1cccc[n+]1C.Cc1ccc(-c2ccc3ncccc3c2)cc1-c1cccc[n+]1C.Cc1ccc(-c2cccc3cc4ccccc4cc23)cc1-c1cccc[n+]1C.Cc1ccc(-c2cccc3cccnc23)cc1-c1cccc[n+]1C.Cc1ccc(-c2cccc3cccnc23)cc1-c1cccc[n+]1C.Cc1ccc(-c2cccc3nc4ccccc4cc23)cc1-c1cccc[n+]1C.

What is the InChIKey of 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline)?

The InChIKey is BINHFGOBCZFRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N.C26H21N2.4C22H19N2/c1-19-13-14-23(18-25(19)27-12-5-6-15-28(27)2)24-11-7-10-22-16-20-8-3-4-9-21(20)17-26(22)24;1-18-13-14-19(16-22(18)26-12-5-6-15-28(26)2)21-9-7-11-25-23(21)17-20-8-3-4-10-24(20)27-25;2*1-16-11-12-18(15-20(16)21-10-3-4-14-24(21)2)19-9-5-7-17-8-6-13-23-22(17)19;1-16-8-9-18(15-20(16)22-7-3-4-13-24(22)2)17-10-11-21-19(14-17)6-5-12-23-21;1-16-8-9-18(14-20(16)22-7-3-4-13-24(22)2)19-11-10-17-6-5-12-23-21(17)15-19/h3-18H,1-2H3;3-17H,1-2H3;4*3-15H,1-2H3/q6*+1.

What are the key properties of 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline)?

2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline) has a molecular weight of 1967.58 g/mol, XLogP of 31.12, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-anthracen-1-yl-2-methylphenyl)-1-methylpyridin-1-ium;1-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]acridine;6-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;7-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline;bis(8-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]quinoline) is sourced from PubChem (CID 160592799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).