zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole)

C34H48F12N14O8S4Zn — CID 139164542

IUPACzinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole)
SMILESCCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.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.[Zn+2]
InChIInChI=1S/6C5H8N2.2C2F6NO4S2.Zn/c6*1-2-7-4-3-6-5-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*3-5H,2H2,1H3;;;/q;;;;;;2*-1;+2
InChIKeyZISYVKAQYGUDCJ-UHFFFAOYSA-N
MW1202.48 g/mol
LogP7.53
Rot. Bonds10

About zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole)

zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole) (PubChem CID 139164542) has the molecular formula C34H48F12N14O8S4Zn and a molecular weight of 1202.48 g/mol. Its IUPAC name is zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole).

Molecular Properties

Compound Namezinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole)
PubChem CID139164542
Molecular FormulaC34H48F12N14O8S4Zn
Molecular Weight1202.48 g/mol
Exact Mass1200.18
IUPAC Namezinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole)
SMILESCCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.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.[Zn+2]
InChIInChI=1S/6C5H8N2.2C2F6NO4S2.Zn/c6*1-2-7-4-3-6-5-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*3-5H,2H2,1H3;;;/q;;;;;;2*-1;+2
InChIKeyZISYVKAQYGUDCJ-UHFFFAOYSA-N
XLogP7.53
TPSA271.68 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001202.48
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

CID 139195180
CID 139195180
CID 129818924
CID 129818924
CID 129818936
CID 129818936
CID 129880965
CID 129880965
CID 139045407
CID 139045407
CID 139158581
CID 139158581
CID 139170051
CID 139170051
CID 139171499
CID 139171499
CID 139171500
CID 139171500
CID 139171503
CID 139171503
CID 139196516
CID 139196516
CID 139196517
CID 139196517

Frequently Asked Questions

What is the IUPAC name of zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole)?
The IUPAC name of zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole) (CID 139164542) is zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole).
What is the SMILES notation for zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole)?
The canonical SMILES for zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole) is CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.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.[Zn+2].
What is the InChIKey of zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole)?
The InChIKey is ZISYVKAQYGUDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H8N2.2C2F6NO4S2.Zn/c6*1-2-7-4-3-6-5-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*3-5H,2H2,1H3;;;/q;;;;;;2*-1;+2.
What are the key properties of zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole)?
zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole) has a molecular weight of 1202.48 g/mol, XLogP of 7.53, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(bis(trifluoromethylsulfonyl)azanide);hexakis(1-ethylimidazole) is sourced from PubChem (CID 139164542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).