bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten

C50H44N4O14W2-12 — CID 139041578

IUPACbis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2[O-])c([O-])c1.COc1ccc(C(=O)c2ccc(OC)cc2[O-])c([O-])c1.[O-2].[O-2].[O-2].[O-2].[W].[W].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H14O5.4C5H5N.4O.2W/c2*1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17;4*1-2-4-6-5-3-1;;;;;;/h2*3-8,16-17H,1-2H3;4*1-5H;;;;;;/q;;;;;;4*-2;;/p-4
InChIKeyVJQRHVGDLYVYJH-UHFFFAOYSA-J
MW1292.60 g/mol
LogP6.01
Rot. Bonds8

About bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten

bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten (PubChem CID 139041578) has the molecular formula C50H44N4O14W2-12 and a molecular weight of 1292.60 g/mol. Its IUPAC name is bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten.

Molecular Properties

Compound Namebis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten
PubChem CID139041578
Molecular FormulaC50H44N4O14W2-12
Molecular Weight1292.60 g/mol
Exact Mass1292.19
IUPAC Namebis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2[O-])c([O-])c1.COc1ccc(C(=O)c2ccc(OC)cc2[O-])c([O-])c1.[O-2].[O-2].[O-2].[O-2].[W].[W].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H14O5.4C5H5N.4O.2W/c2*1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17;4*1-2-4-6-5-3-1;;;;;;/h2*3-8,16-17H,1-2H3;4*1-5H;;;;;;/q;;;;;;4*-2;;/p-4
InChIKeyVJQRHVGDLYVYJH-UHFFFAOYSA-J
XLogP6.01
TPSA328.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001292.60
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexakis(2-acetyl-5-methoxyphenolate);tris(manganese(2+))
CID 139070317
4-methoxybenzoic acid;pyridine
CID 174860408
CID 171375610
CID 171375610
4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite
CID 58931598
bis(4-methoxy-2-propan-2-ylphenyl)methanone
CID 139968368
[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone
CID 132521712
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052

Frequently Asked Questions

What is the IUPAC name of bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten?
The IUPAC name of bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten (CID 139041578) is bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten.
What is the SMILES notation for bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten?
The canonical SMILES for bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten is COc1ccc(C(=O)c2ccc(OC)cc2[O-])c([O-])c1.COc1ccc(C(=O)c2ccc(OC)cc2[O-])c([O-])c1.[O-2].[O-2].[O-2].[O-2].[W].[W].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten?
The InChIKey is VJQRHVGDLYVYJH-UHFFFAOYSA-J. The full InChI is InChI=1S/2C15H14O5.4C5H5N.4O.2W/c2*1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17;4*1-2-4-6-5-3-1;;;;;;/h2*3-8,16-17H,1-2H3;4*1-5H;;;;;;/q;;;;;;4*-2;;/p-4.
What are the key properties of bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten?
bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten has a molecular weight of 1292.60 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten is sourced from PubChem (CID 139041578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).