tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate

C78H62Mn6N4O22 — CID 139054371

IUPACtetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate
SMILESCC#N.CC#N.CC#N.CC#N.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+3].[Mn+3].[O-2].[O-2]
InChIInChI=1S/10C7H6O2.4C2H3N.6Mn.2O/c10*8-7(9)6-4-2-1-3-5-6;4*1-2-3;;;;;;;;/h10*1-5H,(H,8,9);4*1H3;;;;;;;;/q;;;;;;;;;;;;;;4*+2;2*+3;2*-2/p-10
InChIKeyVLJXIDKWLKGEQO-UHFFFAOYSA-D
MW1736.99 g/mol
LogP2.37
Rot. Bonds10

About tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate

tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate (PubChem CID 139054371) has the molecular formula C78H62Mn6N4O22 and a molecular weight of 1736.99 g/mol. Its IUPAC name is tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate.

Molecular Properties

Compound Nametetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate
PubChem CID139054371
Molecular FormulaC78H62Mn6N4O22
Molecular Weight1736.99 g/mol
Exact Mass1736.01
IUPAC Nametetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate
SMILESCC#N.CC#N.CC#N.CC#N.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+3].[Mn+3].[O-2].[O-2]
InChIInChI=1S/10C7H6O2.4C2H3N.6Mn.2O/c10*8-7(9)6-4-2-1-3-5-6;4*1-2-3;;;;;;;;/h10*1-5H,(H,8,9);4*1H3;;;;;;;;/q;;;;;;;;;;;;;;4*+2;2*+3;2*-2/p-10
InChIKeyVLJXIDKWLKGEQO-UHFFFAOYSA-D
XLogP2.37
TPSA553.46 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001736.99
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Related Compounds

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Tetrazinc;hexakis(4-methylbenzoate);oxygen(2-)
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[Fe3(O2Cbiph)6(MeCN)4]CH2Cl2
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CID 139163450
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Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate?
The IUPAC name of tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate (CID 139054371) is tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate.
What is the SMILES notation for tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate?
The canonical SMILES for tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate is CC#N.CC#N.CC#N.CC#N.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+3].[Mn+3].[O-2].[O-2].
What is the InChIKey of tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate?
The InChIKey is VLJXIDKWLKGEQO-UHFFFAOYSA-D. The full InChI is InChI=1S/10C7H6O2.4C2H3N.6Mn.2O/c10*8-7(9)6-4-2-1-3-5-6;4*1-2-3;;;;;;;;/h10*1-5H,(H,8,9);4*1H3;;;;;;;;/q;;;;;;;;;;;;;;4*+2;2*+3;2*-2/p-10.
What are the key properties of tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate?
tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate has a molecular weight of 1736.99 g/mol, XLogP of 2.37, 10 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);tetrakis(manganese(2+));bis(manganese(3+));bis(oxygen(2-));decabenzoate is sourced from PubChem (CID 139054371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).