bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese

C38H40MnN8O4 — CID 58781426

IUPACbis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese
SMILESOCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.OCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Mn]
InChIInChI=1S/2C19H20N4O2.Mn/c2*24-11-9-23(10-12-25)15-13-18(16-5-1-3-7-20-16)22-19(14-15)17-6-2-4-8-21-17;/h2*1-8,13-14,24-25H,9-12H2;
InChIKeySZKLZUJPJRSHLO-UHFFFAOYSA-N
MW727.73 g/mol
LogP3.99
Rot. Bonds14

About bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese

bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese (PubChem CID 58781426) has the molecular formula C38H40MnN8O4 and a molecular weight of 727.73 g/mol. Its IUPAC name is bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese.

Molecular Properties

Compound Namebis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese
PubChem CID58781426
Molecular FormulaC38H40MnN8O4
Molecular Weight727.73 g/mol
Exact Mass727.26
IUPAC Namebis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese
SMILESOCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.OCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Mn]
InChIInChI=1S/2C19H20N4O2.Mn/c2*24-11-9-23(10-12-25)15-13-18(16-5-1-3-7-20-16)22-19(14-15)17-6-2-4-8-21-17;/h2*1-8,13-14,24-25H,9-12H2;
InChIKeySZKLZUJPJRSHLO-UHFFFAOYSA-N
XLogP3.99
TPSA164.74 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.73
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese?
The IUPAC name of bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese (CID 58781426) is bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese.
What is the SMILES notation for bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese?
The canonical SMILES for bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese is OCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.OCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Mn].
What is the InChIKey of bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese?
The InChIKey is SZKLZUJPJRSHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20N4O2.Mn/c2*24-11-9-23(10-12-25)15-13-18(16-5-1-3-7-20-16)22-19(14-15)17-6-2-4-8-21-17;/h2*1-8,13-14,24-25H,9-12H2;.
What are the key properties of bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese?
bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese has a molecular weight of 727.73 g/mol, XLogP of 3.99, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese is sourced from PubChem (CID 58781426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).