dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten

C44H34Cl2F9N12O10S3W2-9 — CID 139186252

IUPACdichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten
SMILESClCCl.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[W].[W].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.CH2Cl2.3CHF3O3S.O.2W/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2-1-3;3*2-1(3,4)8(5,6)7;;;/h4*1-8H;1H2;3*(H,5,6,7);;;/q4*-1;;;;;-2;;/p-3
InChIKeyJFZXBYONWYGVON-UHFFFAOYSA-K
MW1596.60 g/mol
LogP12.71
Rot. Bonds8

About dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten

dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten (PubChem CID 139186252) has the molecular formula C44H34Cl2F9N12O10S3W2-9 and a molecular weight of 1596.60 g/mol. Its IUPAC name is dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten.

Molecular Properties

Compound Namedichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten
PubChem CID139186252
Molecular FormulaC44H34Cl2F9N12O10S3W2-9
Molecular Weight1596.60 g/mol
Exact Mass1595.00
IUPAC Namedichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten
SMILESClCCl.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[W].[W].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.CH2Cl2.3CHF3O3S.O.2W/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2-1-3;3*2-1(3,4)8(5,6)7;;;/h4*1-8H;1H2;3*(H,5,6,7);;;/q4*-1;;;;;-2;;/p-3
InChIKeyJFZXBYONWYGVON-UHFFFAOYSA-K
XLogP12.71
TPSA359.62 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001596.60
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139200433
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CID 139175842
tris(dichloromethane);bis(dipyridin-2-ylazanide);bis((4-methylphenyl)sulfonyl-[6-(4-methylphenyl)sulfonylazanidyl-2-pyridinyl]azanide);bis(nickel(2+));nickel(3+);tetrafluoroborate
CID 139152974
iridium(3+);bis(2-phenylpyridine);trifluoromethanesulfonate;dihydroxide
CID 74220779
tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)
CID 139127430
bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
CID 139174362
phenyl-pyridin-2-yl-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanium;trifluoromethanesulfonate
CID 46206250
acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane)
CID 139170850
magnesium;dipyridin-2-ylmethanethione;sulfate
CID 175513752
bis((1Z,5Z)-cycloocta-1,5-diene);bis(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine);bis(ruthenium(2+));bis(trifluoromethanesulfonate)
CID 139169569
europium(3+);pyridine-2-carboxylate
CID 172810679
iodobenzene;trifluoromethanesulfonate
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Frequently Asked Questions

What is the IUPAC name of dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten?
The IUPAC name of dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten (CID 139186252) is dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten.
What is the SMILES notation for dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten?
The canonical SMILES for dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten is ClCCl.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[W].[W].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten?
The InChIKey is JFZXBYONWYGVON-UHFFFAOYSA-K. The full InChI is InChI=1S/4C10H8N3.CH2Cl2.3CHF3O3S.O.2W/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2-1-3;3*2-1(3,4)8(5,6)7;;;/h4*1-8H;1H2;3*(H,5,6,7);;;/q4*-1;;;;;-2;;/p-3.
What are the key properties of dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten?
dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten has a molecular weight of 1596.60 g/mol, XLogP of 12.71, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten is sourced from PubChem (CID 139186252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).