tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate

C68H68B4Cu4F16N8O8 — CID 139113990

IUPACtetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate
SMILESCO.CO.CO.CO.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]c1ccccc1CNc1cccc2cccnc12.[O-]c1ccccc1CNc1cccc2cccnc12.[O-]c1ccccc1CNc1cccc2cccnc12.[O-]c1ccccc1CNc1cccc2cccnc12
InChIInChI=1S/4C16H14N2O.4CH4O.4BF4.4Cu/c4*19-15-9-2-1-5-13(15)11-18-14-8-3-6-12-7-4-10-17-16(12)14;4*1-2;4*2-1(3,4)5;;;;/h4*1-10,18-19H,11H2;4*2H,1H3;;;;;;;;/q;;;;;;;;4*-1;4*+2/p-4
InChIKeyHQVJWDWDYKMEDI-UHFFFAOYSA-J
MW1726.74 g/mol
LogP15.31
Rot. Bonds12

About tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate

tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate (PubChem CID 139113990) has the molecular formula C68H68B4Cu4F16N8O8 and a molecular weight of 1726.74 g/mol. Its IUPAC name is tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate.

Molecular Properties

Compound Nametetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate
PubChem CID139113990
Molecular FormulaC68H68B4Cu4F16N8O8
Molecular Weight1726.74 g/mol
Exact Mass1724.25
IUPAC Nametetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate
SMILESCO.CO.CO.CO.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]c1ccccc1CNc1cccc2cccnc12.[O-]c1ccccc1CNc1cccc2cccnc12.[O-]c1ccccc1CNc1cccc2cccnc12.[O-]c1ccccc1CNc1cccc2cccnc12
InChIInChI=1S/4C16H14N2O.4CH4O.4BF4.4Cu/c4*19-15-9-2-1-5-13(15)11-18-14-8-3-6-12-7-4-10-17-16(12)14;4*1-2;4*2-1(3,4)5;;;;/h4*1-10,18-19H,11H2;4*2H,1H3;;;;;;;;/q;;;;;;;;4*-1;4*+2/p-4
InChIKeyHQVJWDWDYKMEDI-UHFFFAOYSA-J
XLogP15.31
TPSA272.84 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001726.74
LogP ≤ 515.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);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

Bis{mu~3~-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis{mu~2~-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II)
CID 139062343
Tetracopper;bis(acetonitrile);tetrakis(2-[[pyridin-2-ylmethyl(quinolin-2-ylmethyl)amino]methyl]phenolate);tetraperchlorate
CID 168350058

Frequently Asked Questions

What is the IUPAC name of tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate?
The IUPAC name of tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate (CID 139113990) is tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate.
What is the SMILES notation for tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate?
The canonical SMILES for tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate is CO.CO.CO.CO.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]c1ccccc1CNc1cccc2cccnc12.[O-]c1ccccc1CNc1cccc2cccnc12.[O-]c1ccccc1CNc1cccc2cccnc12.[O-]c1ccccc1CNc1cccc2cccnc12.
What is the InChIKey of tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate?
The InChIKey is HQVJWDWDYKMEDI-UHFFFAOYSA-J. The full InChI is InChI=1S/4C16H14N2O.4CH4O.4BF4.4Cu/c4*19-15-9-2-1-5-13(15)11-18-14-8-3-6-12-7-4-10-17-16(12)14;4*1-2;4*2-1(3,4)5;;;;/h4*1-10,18-19H,11H2;4*2H,1H3;;;;;;;;/q;;;;;;;;4*-1;4*+2/p-4.
What are the key properties of tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate?
tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate has a molecular weight of 1726.74 g/mol, XLogP of 15.31, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate is sourced from PubChem (CID 139113990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).