acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)

C34H40MnN4O8P2 — CID 139149043

IUPACacetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)
SMILESCC(=O)O.CC(C)(C)P(=O)([O-])O.CC(C)(C)P(=O)([O-])O.[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C4H11O3P.C2H4O2.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-4(2,3)8(5,6)7;1-2(3)4;/h2*1-8H;2*1-3H3,(H2,5,6,7);1H3,(H,3,4);/q;;;;;+2/p-2
InChIKeyBSBWBUZZXBGJPM-UHFFFAOYSA-L
MW749.60 g/mol
LogP6.32
Rot. Bonds

About acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)

acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline) (PubChem CID 139149043) has the molecular formula C34H40MnN4O8P2 and a molecular weight of 749.60 g/mol. Its IUPAC name is acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline).

Molecular Properties

Compound Nameacetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)
PubChem CID139149043
Molecular FormulaC34H40MnN4O8P2
Molecular Weight749.60 g/mol
Exact Mass749.17
IUPAC Nameacetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)
SMILESCC(=O)O.CC(C)(C)P(=O)([O-])O.CC(C)(C)P(=O)([O-])O.[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C4H11O3P.C2H4O2.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-4(2,3)8(5,6)7;1-2(3)4;/h2*1-8H;2*1-3H3,(H2,5,6,7);1H3,(H,3,4);/q;;;;;+2/p-2
InChIKeyBSBWBUZZXBGJPM-UHFFFAOYSA-L
XLogP6.32
TPSA209.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.60
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline
CID 139086176
dicopper;bis(2-[hydroxy(oxido)phosphoryl]acetate);bis(1,10-phenanthroline);dihydrate
CID 139069035
acetic acid;bis(palladium);bis(quinolin-8-ol)
CID 171726767
bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate
CID 76853347
lead(2+);1,10-phenanthroline;acetate;benzoate;hydrate
CID 139077114
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
copper;1,10-phenanthroline;phosphonato phosphate;nonahydrate
CID 52916873
2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
iridium(3+);1,10-phenanthroline
CID 175702049

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)?
The IUPAC name of acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline) (CID 139149043) is acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline).
What is the SMILES notation for acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)?
The canonical SMILES for acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline) is CC(=O)O.CC(C)(C)P(=O)([O-])O.CC(C)(C)P(=O)([O-])O.[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)?
The InChIKey is BSBWBUZZXBGJPM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2.2C4H11O3P.C2H4O2.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-4(2,3)8(5,6)7;1-2(3)4;/h2*1-8H;2*1-3H3,(H2,5,6,7);1H3,(H,3,4);/q;;;;;+2/p-2.
What are the key properties of acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)?
acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline) has a molecular weight of 749.60 g/mol, XLogP of 6.32, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline) is sourced from PubChem (CID 139149043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).