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

C50H36Ag2F6N4O6S2 — CID 139045628

IUPACdisilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)
SMILESC(=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+]
InChIInChI=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-;;;;
InChIKeyYNFVEAFOMGBRBF-DDHZUUQYSA-L
MW1182.72 g/mol
LogP12.04
Rot. Bonds8

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 Namedisilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)
PubChem CID139045628
Molecular FormulaC50H36Ag2F6N4O6S2
Molecular Weight1182.72 g/mol
Exact Mass1180.01
IUPAC Namedisilver;bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine);bis(trifluoromethanesulfonate)
SMILESC(=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+]
InChIInChI=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-;;;;
InChIKeyYNFVEAFOMGBRBF-DDHZUUQYSA-L
XLogP12.04
TPSA165.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001182.72
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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).