6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid

C47H31F3N4O4S — CID 162181020

About 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid

6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid (PubChem CID 162181020) has the molecular formula C47H31F3N4O4S and a molecular weight of 804.85 g/mol. Its IUPAC name is 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid.

Molecular Properties

• Compound Name: 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid
• PubChem CID: 162181020
• Molecular Formula: C47H31F3N4O4S
• Molecular Weight: 804.85 g/mol
• Exact Mass: 804.20
• IUPAC Name: 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid
• SMILES: O=S(=O)(O)C(F)(F)F.Oc1ccc2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2c1-c1ccc2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2c1
• InChI: InChI=1S/C46H30N4O.CHF3O3S/c51-43-22-20-38-26-35(31-9-13-33(14-10-31)42-29-50-24-4-2-6-45(50)48-42)19-21-40(38)46(43)39-18-17-36-25-34(15-16-37(36)27-39)30-7-11-32(12-8-30)41-28-49-23-3-1-5-44(49)47-41;2-1(3,4)8(5,6)7/h1-29,51H;(H,5,6,7)
• InChIKey: ZPACQGSINMQQAX-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 109.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.85
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid?

The IUPAC name of 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid (CID 162181020) is 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid.

What is the SMILES notation for 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid?

The canonical SMILES for 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.Oc1ccc2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2c1-c1ccc2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2c1.

What is the InChIKey of 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid?

The InChIKey is ZPACQGSINMQQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O.CHF3O3S/c51-43-22-20-38-26-35(31-9-13-33(14-10-31)42-29-50-24-4-2-6-45(50)48-42)19-21-40(38)46(43)39-18-17-36-25-34(15-16-37(36)27-39)30-7-11-32(12-8-30)41-28-49-23-3-1-5-44(49)47-41;2-1(3,4)8(5,6)7/h1-29,51H;(H,5,6,7).

What are the key properties of 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid?

6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid has a molecular weight of 804.85 g/mol, XLogP of 11.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-yl]naphthalen-2-ol;trifluoromethanesulfonic acid is sourced from PubChem (CID 162181020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).