disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate)

C48H40Ag2F6N6O6S2 — CID 139155847

IUPACdisilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate)
SMILESC1=C/C(=C(/c2ccncc2)c2ccc[nH]2)N=C1.C1=C/C(=C(/c2ccncc2)c2ccc[nH]2)N=C1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C14H11N3.3C6H6.2CHF3O3S.2Ag/c2*1-3-12(16-7-1)14(13-4-2-8-17-13)11-5-9-15-10-6-11;3*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;;/h2*1-10,16H;3*1-6H;2*(H,5,6,7);;/q;;;;;;;2*+1/p-2/b2*14-13+;;;;;;;
InChIKeyJRHFFDBNFCQGKK-GVYMRQAESA-L
MW1190.74 g/mol
LogP10.78
Rot. Bonds4

About disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate)

disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate) (PubChem CID 139155847) has the molecular formula C48H40Ag2F6N6O6S2 and a molecular weight of 1190.74 g/mol. Its IUPAC name is disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate)
PubChem CID139155847
Molecular FormulaC48H40Ag2F6N6O6S2
Molecular Weight1190.74 g/mol
Exact Mass1188.05
IUPAC Namedisilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate)
SMILESC1=C/C(=C(/c2ccncc2)c2ccc[nH]2)N=C1.C1=C/C(=C(/c2ccncc2)c2ccc[nH]2)N=C1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C14H11N3.3C6H6.2CHF3O3S.2Ag/c2*1-3-12(16-7-1)14(13-4-2-8-17-13)11-5-9-15-10-6-11;3*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;;/h2*1-10,16H;3*1-6H;2*(H,5,6,7);;/q;;;;;;;2*+1/p-2/b2*14-13+;;;;;;;
InChIKeyJRHFFDBNFCQGKK-GVYMRQAESA-L
XLogP10.78
TPSA196.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.74
LogP ≤ 510.78
H-Bond Donors ≤ 52
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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Related Compounds

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CID 176457055
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CID 91228819
5,10,15-Tris(1-methylpyridin-1-ium-4-yl)-20-phenyl-21,22,23,24-tetrahydroporphyrin
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5,15-Diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 91187903
5-Phenyl-10,15,20-tripyridin-2-yl-21,22,23,24-tetrahydroporphyrin
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5-Phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
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Frequently Asked Questions

What is the IUPAC name of disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate) (CID 139155847) is disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate) is C1=C/C(=C(/c2ccncc2)c2ccc[nH]2)N=C1.C1=C/C(=C(/c2ccncc2)c2ccc[nH]2)N=C1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate)?
The InChIKey is JRHFFDBNFCQGKK-GVYMRQAESA-L. The full InChI is InChI=1S/2C14H11N3.3C6H6.2CHF3O3S.2Ag/c2*1-3-12(16-7-1)14(13-4-2-8-17-13)11-5-9-15-10-6-11;3*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;;/h2*1-10,16H;3*1-6H;2*(H,5,6,7);;/q;;;;;;;2*+1/p-2/b2*14-13+;;;;;;;.
What are the key properties of disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate)?
disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate) has a molecular weight of 1190.74 g/mol, XLogP of 10.78, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;benzene;bis(4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]pyridine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139155847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).