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

C62H50Ag2N4O6S2 — CID 139045627

IUPACdisilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine)
SMILESC(=C/c1cccc2cccc(/C=C/c3ccncc3)c12)\c1ccncc1.C(=C\c1cccc2cccc(/C=C/c3ccncc3)c12)\c1ccncc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+].[Ag+]
InChIInChI=1S/2C24H18N2.2C7H8O3S.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*1-6-2-4-7(5-3-6)11(8,9)10;;/h2*1-18H;2*2-5H,1H3,(H,8,9,10);;/q;;;;2*+1/p-2/b9-7+,10-8+;9-7-,10-8+;;;;
InChIKeyUZWUQTNTTGMMQQ-FGVNUOJBSA-L
MW1226.97 g/mol
LogP13.73
Rot. Bonds10

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

disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine) (PubChem CID 139045627) has the molecular formula C62H50Ag2N4O6S2 and a molecular weight of 1226.97 g/mol. Its IUPAC name is disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine).

Molecular Properties

Compound Namedisilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine)
PubChem CID139045627
Molecular FormulaC62H50Ag2N4O6S2
Molecular Weight1226.97 g/mol
Exact Mass1224.13
IUPAC Namedisilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine)
SMILESC(=C/c1cccc2cccc(/C=C/c3ccncc3)c12)\c1ccncc1.C(=C\c1cccc2cccc(/C=C/c3ccncc3)c12)\c1ccncc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+].[Ag+]
InChIInChI=1S/2C24H18N2.2C7H8O3S.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*1-6-2-4-7(5-3-6)11(8,9)10;;/h2*1-18H;2*2-5H,1H3,(H,8,9,10);;/q;;;;2*+1/p-2/b9-7+,10-8+;9-7-,10-8+;;;;
InChIKeyUZWUQTNTTGMMQQ-FGVNUOJBSA-L
XLogP13.73
TPSA165.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001226.97
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine)?
The IUPAC name of disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine) (CID 139045627) is disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine).
What is the SMILES notation for disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine)?
The canonical SMILES for disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine) is C(=C/c1cccc2cccc(/C=C/c3ccncc3)c12)\c1ccncc1.C(=C\c1cccc2cccc(/C=C/c3ccncc3)c12)\c1ccncc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+].[Ag+].
What is the InChIKey of disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine)?
The InChIKey is UZWUQTNTTGMMQQ-FGVNUOJBSA-L. The full InChI is InChI=1S/2C24H18N2.2C7H8O3S.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*1-6-2-4-7(5-3-6)11(8,9)10;;/h2*1-18H;2*2-5H,1H3,(H,8,9,10);;/q;;;;2*+1/p-2/b9-7+,10-8+;9-7-,10-8+;;;;.
What are the key properties of disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine)?
disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine) has a molecular weight of 1226.97 g/mol, XLogP of 13.73, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(4-methylbenzenesulfonate);bis(4-[(E)-2-[8-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]ethenyl]pyridine) is sourced from PubChem (CID 139045627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).