manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate

C45H45BMnN4O3 — CID 139088605

IUPACmanganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate
SMILESCC(=O)[O-].CO.[Mn+2].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C18H18N4.C2H4O2.CH4O.Mn/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2(3)4;1-2;/h1-20H;1-12H,13-15H2;1H3,(H,3,4);2H,1H3;/q-1;;;;+2/p-1
InChIKeyTWWBNRVXVYPJAD-UHFFFAOYSA-M
MW755.63 g/mol
LogP4.50
Rot. Bonds10

About manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate

manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate (PubChem CID 139088605) has the molecular formula C45H45BMnN4O3 and a molecular weight of 755.63 g/mol. Its IUPAC name is manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate.

Molecular Properties

Compound Namemanganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate
PubChem CID139088605
Molecular FormulaC45H45BMnN4O3
Molecular Weight755.63 g/mol
Exact Mass755.30
IUPAC Namemanganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate
SMILESCC(=O)[O-].CO.[Mn+2].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C18H18N4.C2H4O2.CH4O.Mn/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2(3)4;1-2;/h1-20H;1-12H,13-15H2;1H3,(H,3,4);2H,1H3;/q-1;;;;+2/p-1
InChIKeyTWWBNRVXVYPJAD-UHFFFAOYSA-M
XLogP4.50
TPSA102.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500755.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;3,5-ditert-butylcyclohexa-3,5-diene-1,2-dione;manganese;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide
CID 139036840
acetonitrile;copper(1+);1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide
CID 139132653
bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide
CID 139132655
Cobalt(2+);bis(methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate);ditetrafluoroborate
CID 139167525
bis(manganese(2+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetraphenylboranuide);diacetate
CID 139179804
acetic acid;nickel;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;hydrate
CID 139261107
2-[Bis(pyridin-2-ylmethyl)amino]acetamide;iron(3+);methanol;tetraphenylboranuide;acetate
CID 168337540
[Mn2(adc)(bpta)2(H2O)2]
CID 168345116
[Mn2(adc)(bpta)2(H2O)2].4H2O
CID 168345117
nickel(3+);2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;tetraphenylboranuide;acetate
CID 168347250
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(3+);tetraphenylboranuide;acetate
CID 168348194
cobalt(3+);1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate
CID 168350291

Frequently Asked Questions

What is the IUPAC name of manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate?
The IUPAC name of manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate (CID 139088605) is manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate.
What is the SMILES notation for manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate?
The canonical SMILES for manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate is CC(=O)[O-].CO.[Mn+2].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate?
The InChIKey is TWWBNRVXVYPJAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20B.C18H18N4.C2H4O2.CH4O.Mn/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2(3)4;1-2;/h1-20H;1-12H,13-15H2;1H3,(H,3,4);2H,1H3;/q-1;;;;+2/p-1.
What are the key properties of manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate?
manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate has a molecular weight of 755.63 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);methanol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;tetraphenylboranuide;acetate is sourced from PubChem (CID 139088605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).