bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate

C81H72B4F16Mn2N12 — CID 139133324

IUPACbis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate
SMILESCC(=Nc1ccc(Cc2ccc(/N=C(/C)c3ccccn3)cc2)cc1)c1ccccn1.CC(=Nc1ccc(Cc2ccc(/N=C(/C)c3ccccn3)cc2)cc1)c1ccccn1.CC(=Nc1ccc(Cc2ccc(/N=C(/C)c3ccccn3)cc2)cc1)c1ccccn1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Mn+2].[Mn+2]
InChIInChI=1S/3C27H24N4.4BF4.2Mn/c3*1-20(26-7-3-5-17-28-26)30-24-13-9-22(10-14-24)19-23-11-15-25(16-12-23)31-21(2)27-8-4-6-18-29-27;4*2-1(3,4)5;;/h3*3-18H,19H2,1-2H3;;;;;;/q;;;4*-1;2*+2/b3*30-20-,31-21?;;;;;;
InChIKeyXBYQVSGRDFZIJT-BBDSIFESSA-N
MW1670.64 g/mol
LogP24.24
Rot. Bonds18

About bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate

bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate (PubChem CID 139133324) has the molecular formula C81H72B4F16Mn2N12 and a molecular weight of 1670.64 g/mol. Its IUPAC name is bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate.

Molecular Properties

Compound Namebis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate
PubChem CID139133324
Molecular FormulaC81H72B4F16Mn2N12
Molecular Weight1670.64 g/mol
Exact Mass1670.49
IUPAC Namebis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate
SMILESCC(=Nc1ccc(Cc2ccc(/N=C(/C)c3ccccn3)cc2)cc1)c1ccccn1.CC(=Nc1ccc(Cc2ccc(/N=C(/C)c3ccccn3)cc2)cc1)c1ccccn1.CC(=Nc1ccc(Cc2ccc(/N=C(/C)c3ccccn3)cc2)cc1)c1ccccn1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Mn+2].[Mn+2]
InChIInChI=1S/3C27H24N4.4BF4.2Mn/c3*1-20(26-7-3-5-17-28-26)30-24-13-9-22(10-14-24)19-23-11-15-25(16-12-23)31-21(2)27-8-4-6-18-29-27;4*2-1(3,4)5;;/h3*3-18H,19H2,1-2H3;;;;;;/q;;;4*-1;2*+2/b3*30-20-,31-21?;;;;;;
InChIKeyXBYQVSGRDFZIJT-BBDSIFESSA-N
XLogP24.24
TPSA151.50 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001670.64
LogP ≤ 524.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate 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

Tris(2-pyridin-2-ylpyridine);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 72192756
bis(manganese(2+));(2-methylphenyl)-[4-(2-methylphenyl)azanidyl-3,6-bis[(2-methylphenyl)imino]cyclohexa-1,4-dien-1-yl]azanide;bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139046353
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
1,3,5-Tris(6-(3-(pyridin-3-yl)phenyl)pyridin-2-yl)benzene
CID 102128661
Manganese(2+);5,10,15-tris(1-ethylpyridin-1-ium-3-yl)-20-[1-(2,2,2-trifluoroethyl)pyridin-1-ium-3-yl]porphyrin-22,24-diide
CID 58503618
(SP-4-1)-[[4,4 inverted exclamation marka,4 inverted exclamation marka inverted exclamation marka,4 inverted exclamation marka inverted exclamation marka inverted exclamation marka-(21H,23H-Porphine-5,10,15,20-tetrayl-|EN21,|EN22,|EN23,|EN24)tetrakis[1-methylpyridiniumato]](2-)]manganese
CID 59992177
5,10,15,20-Tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)porphyrin
CID 88038683
2-(3-Ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis(2-methylphenyl)phenyl]pyridine;2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(3-methyl-2-pyridinyl)pyridine;2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine
CID 91161173
2-[2,5-Diphenyl-4-(6-phenyl-2-pyridinyl)phenyl]-6-phenylpyridine;2-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[3-methyl-5-(trifluoromethyl)phenyl]-6-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-diphenylphenyl]pyridine
CID 91363564
2-[3,5-Bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine
CID 91435354
2-[2,5-Bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine
CID 91578955
1-[4-[4-(1-Hexylpyridin-1-ium-4-yl)-2,6-bis(4-methylphenyl)pyridin-1-ium-1-yl]phenyl]-4-(1-methylpyridin-1-ium-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]pyridin-1-ium
CID 132214895

Frequently Asked Questions

What is the IUPAC name of bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate?
The IUPAC name of bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate (CID 139133324) is bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate.
What is the SMILES notation for bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate?
The canonical SMILES for bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate is CC(=Nc1ccc(Cc2ccc(/N=C(/C)c3ccccn3)cc2)cc1)c1ccccn1.CC(=Nc1ccc(Cc2ccc(/N=C(/C)c3ccccn3)cc2)cc1)c1ccccn1.CC(=Nc1ccc(Cc2ccc(/N=C(/C)c3ccccn3)cc2)cc1)c1ccccn1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Mn+2].[Mn+2].
What is the InChIKey of bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate?
The InChIKey is XBYQVSGRDFZIJT-BBDSIFESSA-N. The full InChI is InChI=1S/3C27H24N4.4BF4.2Mn/c3*1-20(26-7-3-5-17-28-26)30-24-13-9-22(10-14-24)19-23-11-15-25(16-12-23)31-21(2)27-8-4-6-18-29-27;4*2-1(3,4)5;;/h3*3-18H,19H2,1-2H3;;;;;;/q;;;4*-1;2*+2/b3*30-20-,31-21?;;;;;;.
What are the key properties of bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate?
bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate has a molecular weight of 1670.64 g/mol, XLogP of 24.24, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(2+));tris(1-pyridin-2-yl-N-[4-[[4-(1-pyridin-2-ylethylideneamino)phenyl]methyl]phenyl]ethanimine);tetratetrafluoroborate is sourced from PubChem (CID 139133324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).