disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)

C50H36Ag2F6N4O6S2 — CID 139045628

About disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)

disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate) (PubChem CID 139045628) has the molecular formula C50H36Ag2F6N4O6S2 and a molecular weight of 1182.72 g/mol. Its IUPAC name is disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)
• PubChem CID: 139045628
• Molecular Formula: C50H36Ag2F6N4O6S2
• Molecular Weight: 1182.72 g/mol
• Exact Mass: 1180.01
• IUPAC Name: disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)
• SMILES: C(=C\c1cccc2cccc(/C=C\c3ccncc3)c12)\c1ccncc1.C(=C\c1cccc2cccc(/C=C\c3ccncc3)c12)\c1ccncc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
• InChI: InChI=1S/2C24H18N2.2CHF3O3S.2Ag/c2*1-3-21-4-2-6-23(10-8-20-13-17-26-18-14-20)24(21)22(5-1)9-7-19-11-15-25-16-12-19;2*2-1(3,4)8(5,6)7;;/h2*1-18H;2*(H,5,6,7);;/q;;;;2*+1/p-2/b2*9-7-,10-8-
• InChIKey: YNFVEAFOMGBRBF-DDHZUUQYSA-L
• XLogP: 12.04
• TPSA: 165.96 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1182.72
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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 disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)?

The IUPAC name of disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate) (CID 139045628) is disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate).

What is the SMILES notation for disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)?

The canonical SMILES for disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate) is C(=C\c1cccc2cccc(/C=C\c3ccncc3)c12)\c1ccncc1.C(=C\c1cccc2cccc(/C=C\c3ccncc3)c12)\c1ccncc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].

What is the InChIKey of disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)?

The InChIKey is YNFVEAFOMGBRBF-DDHZUUQYSA-L. The full InChI is InChI=1S/2C24H18N2.2CHF3O3S.2Ag/c2*1-3-21-4-2-6-23(10-8-20-13-17-26-18-14-20)24(21)22(5-1)9-7-19-11-15-25-16-12-19;2*2-1(3,4)8(5,6)7;;/h2*1-18H;2*(H,5,6,7);;/q;;;;2*+1/p-2/b2*9-7-,10-8-;;;;.

What are the key properties of disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)?

disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate) has a molecular weight of 1182.72 g/mol, XLogP of 12.04, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for disilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139045628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).