tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine

C64H42Ag4F24N18O16S8 — CID 139197012

IUPACtetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1
InChIInChI=1S/7C8H6N2.4C2F6NO4S2.4Ag/c7*1-2-4-8-6-10-9-5-7(8)3-1;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;;/h7*1-6H;;;;;;;;/q;;;;;;;4*-1;4*+1
InChIKeyVLJWMASCHSGRNJ-UHFFFAOYSA-N
MW2463.11 g/mol
LogP15.64
Rot. Bonds8

About tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine

tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine (PubChem CID 139197012) has the molecular formula C64H42Ag4F24N18O16S8 and a molecular weight of 2463.11 g/mol. Its IUPAC name is tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine.

Molecular Properties

Compound Nametetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine
PubChem CID139197012
Molecular FormulaC64H42Ag4F24N18O16S8
Molecular Weight2463.11 g/mol
Exact Mass2457.66
IUPAC Nametetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1
InChIInChI=1S/7C8H6N2.4C2F6NO4S2.4Ag/c7*1-2-4-8-6-10-9-5-7(8)3-1;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;;/h7*1-6H;;;;;;;;/q;;;;;;;4*-1;4*+1
InChIKeyVLJWMASCHSGRNJ-UHFFFAOYSA-N
XLogP15.64
TPSA509.98 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds8
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002463.11
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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Frequently Asked Questions

What is the IUPAC name of tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine?
The IUPAC name of tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine (CID 139197012) is tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine.
What is the SMILES notation for tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine?
The canonical SMILES for tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.c1ccc2cnncc2c1.
What is the InChIKey of tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine?
The InChIKey is VLJWMASCHSGRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/7C8H6N2.4C2F6NO4S2.4Ag/c7*1-2-4-8-6-10-9-5-7(8)3-1;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;;/h7*1-6H;;;;;;;;/q;;;;;;;4*-1;4*+1.
What are the key properties of tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine?
tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine has a molecular weight of 2463.11 g/mol, XLogP of 15.64, 8 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine is sourced from PubChem (CID 139197012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).