tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate

C76H72Ag4F24N20O2P4 — CID 139103199

IUPACtetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate
SMILESCc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.Cc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.Cc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.Cc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Ag+].[Ag+].[Ag+].[Ag+]
InChIInChI=1S/4C19H17N5.4Ag.4F6P.2H2O/c4*1-14-11-15(2)21-19-17(14)6-7-18(22-19)24-10-9-23(13-24)12-16-5-3-4-8-20-16;;;;;4*1-7(2,3,4,5)6;;/h4*3-11H,12H2,1-2H3;;;;;;;;;2*1H2/q;;;;4*+1;4*-1;;
InChIKeyQSXSTLRMQFGIGW-UHFFFAOYSA-N
MW2308.87 g/mol
LogP22.14
Rot. Bonds12

About tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate

tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate (PubChem CID 139103199) has the molecular formula C76H72Ag4F24N20O2P4 and a molecular weight of 2308.87 g/mol. Its IUPAC name is tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate.

Molecular Properties

Compound Nametetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate
PubChem CID139103199
Molecular FormulaC76H72Ag4F24N20O2P4
Molecular Weight2308.87 g/mol
Exact Mass2304.09
IUPAC Nametetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate
SMILESCc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.Cc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.Cc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.Cc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Ag+].[Ag+].[Ag+].[Ag+]
InChIInChI=1S/4C19H17N5.4Ag.4F6P.2H2O/c4*1-14-11-15(2)21-19-17(14)6-7-18(22-19)24-10-9-23(13-24)12-16-5-3-4-8-20-16;;;;;4*1-7(2,3,4,5)6;;/h4*3-11H,12H2,1-2H3;;;;;;;;;2*1H2/q;;;;4*+1;4*-1;;
InChIKeyQSXSTLRMQFGIGW-UHFFFAOYSA-N
XLogP22.14
TPSA252.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002308.87
LogP ≤ 522.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate?
The IUPAC name of tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate (CID 139103199) is tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate.
What is the SMILES notation for tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate?
The canonical SMILES for tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate is Cc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.Cc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.Cc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.Cc1cc(C)c2ccc(-n3[c-][n+](Cc4ccccn4)cc3)nc2n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Ag+].[Ag+].[Ag+].[Ag+].
What is the InChIKey of tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate?
The InChIKey is QSXSTLRMQFGIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H17N5.4Ag.4F6P.2H2O/c4*1-14-11-15(2)21-19-17(14)6-7-18(22-19)24-10-9-23(13-24)12-16-5-3-4-8-20-16;;;;;4*1-7(2,3,4,5)6;;/h4*3-11H,12H2,1-2H3;;;;;;;;;2*1H2/q;;;;4*+1;4*-1;;.
What are the key properties of tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate?
tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate has a molecular weight of 2308.87 g/mol, XLogP of 22.14, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasilver;tetrakis(2,4-dimethyl-7-[3-(pyridin-2-ylmethyl)-2H-imidazol-3-ium-2-id-1-yl]-1,8-naphthyridine);tetrahexafluorophosphate;dihydrate is sourced from PubChem (CID 139103199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).