bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate

C194H168Cl4Mn16N8O56 — CID 139132652

IUPACbis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate
SMILESCO.CO.CO.CO.ClCCl.ClCCl.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].[O-2].[O-2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1
InChIInChI=1S/20C7H6O2.8C6H6NO.2CH2Cl2.4CH4O.16Mn.4O/c20*8-7(9)6-4-2-1-3-5-6;8*8-5-6-3-1-2-4-7-6;2*2-1-3;4*1-2;;;;;;;;;;;;;;;;;;;;/h20*1-5H,(H,8,9);8*1-4H,5H2;2*1H2;4*2H,1H3;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;8*-1;;;;;;;12*+2;4*+3;4*-2/p-20
InChIKeyFCIHXMATRJCFPZ-UHFFFAOYSA-A
MW4528.30 g/mol
LogP1.30
Rot. Bonds28

About bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate

bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate (PubChem CID 139132652) has the molecular formula C194H168Cl4Mn16N8O56 and a molecular weight of 4528.30 g/mol. Its IUPAC name is bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate.

Molecular Properties

Compound Namebis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate
PubChem CID139132652
Molecular FormulaC194H168Cl4Mn16N8O56
Molecular Weight4528.30 g/mol
Exact Mass4523.94
IUPAC Namebis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate
SMILESCO.CO.CO.CO.ClCCl.ClCCl.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].[O-2].[O-2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1
InChIInChI=1S/20C7H6O2.8C6H6NO.2CH2Cl2.4CH4O.16Mn.4O/c20*8-7(9)6-4-2-1-3-5-6;8*8-5-6-3-1-2-4-7-6;2*2-1-3;4*1-2;;;;;;;;;;;;;;;;;;;;/h20*1-5H,(H,8,9);8*1-4H,5H2;2*1H2;4*2H,1H3;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;8*-1;;;;;;;12*+2;4*+3;4*-2/p-20
InChIKeyFCIHXMATRJCFPZ-UHFFFAOYSA-A
XLogP1.30
TPSA1285.12 Ų
H-Bond Donors4
H-Bond Acceptors60
Rotatable Bonds28
Heavy Atoms278
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004528.30
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1060

Analyze bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate 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

CID 139052977
CID 139052977
CID 139135522
CID 139135522
CID 139150580
CID 139150580
CID 139160028
CID 139160028
CID 139160029
CID 139160029
CID 139160030
CID 139160030
CID 168345127
CID 168345127
CID 168346010
CID 168346010
CID 168348658
CID 168348658
CID 139118911
CID 139118911
CID 139187642
CID 139187642
CID 139203613
CID 139203613

Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate?
The IUPAC name of bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate (CID 139132652) is bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate.
What is the SMILES notation for bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate?
The canonical SMILES for bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate is CO.CO.CO.CO.ClCCl.ClCCl.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].[O-2].[O-2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.
What is the InChIKey of bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate?
The InChIKey is FCIHXMATRJCFPZ-UHFFFAOYSA-A. The full InChI is InChI=1S/20C7H6O2.8C6H6NO.2CH2Cl2.4CH4O.16Mn.4O/c20*8-7(9)6-4-2-1-3-5-6;8*8-5-6-3-1-2-4-7-6;2*2-1-3;4*1-2;;;;;;;;;;;;;;;;;;;;/h20*1-5H,(H,8,9);8*1-4H,5H2;2*1H2;4*2H,1H3;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;8*-1;;;;;;;12*+2;4*+3;4*-2/p-20.
What are the key properties of bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate?
bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate has a molecular weight of 4528.30 g/mol, XLogP of 1.30, 28 rotatable bonds, 4 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate is sourced from PubChem (CID 139132652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).