tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium)

C92H140Cl8N8O20V4-20 — CID 139164659

IUPACtetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium)
SMILESCCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].ClCCl.ClCCl.ClCCl.ClCCl.[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V]
InChIInChI=1S/4C16H20N2O2.8C3H7O.4CH2Cl2.4O.4V/c4*1-12-8-13(16(19)15(9-12)20-3)10-18(2)11-14-6-4-5-7-17-14;8*1-2-3-4;4*2-1-3;;;;;;;;/h4*4-9,19H,10-11H2,1-3H3;8*2-3H2,1H3;4*1H2;;;;;;;;/q;;;;8*-1;;;;;4*-2;;;;/p-4
InChIKeyGCSMNNVYEXWIQP-UHFFFAOYSA-J
MW2165.57 g/mol
LogP11.67
Rot. Bonds28

About tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium)

tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium) (PubChem CID 139164659) has the molecular formula C92H140Cl8N8O20V4-20 and a molecular weight of 2165.57 g/mol. Its IUPAC name is tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium).

Molecular Properties

Compound Nametetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium)
PubChem CID139164659
Molecular FormulaC92H140Cl8N8O20V4-20
Molecular Weight2165.57 g/mol
Exact Mass2160.56
IUPAC Nametetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium)
SMILESCCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].ClCCl.ClCCl.ClCCl.ClCCl.[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V]
InChIInChI=1S/4C16H20N2O2.8C3H7O.4CH2Cl2.4O.4V/c4*1-12-8-13(16(19)15(9-12)20-3)10-18(2)11-14-6-4-5-7-17-14;8*1-2-3-4;4*2-1-3;;;;;;;;/h4*4-9,19H,10-11H2,1-3H3;8*2-3H2,1H3;4*1H2;;;;;;;;/q;;;;8*-1;;;;;4*-2;;;;/p-4
InChIKeyGCSMNNVYEXWIQP-UHFFFAOYSA-J
XLogP11.67
TPSA492.16 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002165.57
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium)?
The IUPAC name of tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium) (CID 139164659) is tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium).
What is the SMILES notation for tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium)?
The canonical SMILES for tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium) is CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(C)Cc2ccccn2)c1[O-].ClCCl.ClCCl.ClCCl.ClCCl.[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].
What is the InChIKey of tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium)?
The InChIKey is GCSMNNVYEXWIQP-UHFFFAOYSA-J. The full InChI is InChI=1S/4C16H20N2O2.8C3H7O.4CH2Cl2.4O.4V/c4*1-12-8-13(16(19)15(9-12)20-3)10-18(2)11-14-6-4-5-7-17-14;8*1-2-3-4;4*2-1-3;;;;;;;;/h4*4-9,19H,10-11H2,1-3H3;8*2-3H2,1H3;4*1H2;;;;;;;;/q;;;;8*-1;;;;;4*-2;;;;/p-4.
What are the key properties of tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium)?
tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium) has a molecular weight of 2165.57 g/mol, XLogP of 11.67, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium) is sourced from PubChem (CID 139164659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).