bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate

C56H50Co2F12N8O5P2 — CID 139081429

IUPACbis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.[Co+3].[Co+3].[O-]c1cc2ccccc2cc1[O-].[O-]c1cc2ccccc2cc1[O-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/2C18H18N4.2C10H8O2.2Co.2F6P.H2O/c2*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;2*11-9-5-7-3-1-2-4-8(7)6-10(9)12;;;2*1-7(2,3,4,5)6;/h2*1-12H,13-15H2;2*1-6,11-12H;;;;;1H2/q;;;;2*+3;2*-1;/p-4
InChIKeyPENWVZLGYXJZFI-UHFFFAOYSA-J
MW1322.86 g/mol
LogP14.06
Rot. Bonds12

About bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate

bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate (PubChem CID 139081429) has the molecular formula C56H50Co2F12N8O5P2 and a molecular weight of 1322.86 g/mol. Its IUPAC name is bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate.

Molecular Properties

Compound Namebis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate
PubChem CID139081429
Molecular FormulaC56H50Co2F12N8O5P2
Molecular Weight1322.86 g/mol
Exact Mass1322.19
IUPAC Namebis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.[Co+3].[Co+3].[O-]c1cc2ccccc2cc1[O-].[O-]c1cc2ccccc2cc1[O-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/2C18H18N4.2C10H8O2.2Co.2F6P.H2O/c2*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;2*11-9-5-7-3-1-2-4-8(7)6-10(9)12;;;2*1-7(2,3,4,5)6;/h2*1-12H,13-15H2;2*1-6,11-12H;;;;;1H2/q;;;;2*+3;2*-1;/p-4
InChIKeyPENWVZLGYXJZFI-UHFFFAOYSA-J
XLogP14.06
TPSA207.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.86
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate 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

[Fe(L2)2](PF6)2
CID 139137586
tetracopper;2-[[(3S)-5-[benzyl-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]amino]-3-oxidopentyl]iminomethyl]phenolate;2-[[(3R)-5-[benzyl-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]amino]-3-oxidopentyl]iminomethyl]phenolate;ethanol;diacetate;dihexafluorophosphate
CID 139154313
bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate
CID 139158831
bis[5,5"-bis-(4-methoxy-2,6-dimethylphenyl)-[2,2':6,2"]terpyridine]iron(II) hexafluorophosphate hexa-acetonitrile solvate
CID 139160959
bis[5,5"-bis-(4-methoxy-2,6-dimethylphenyl)-[2,2':6,2"]terpyridine]cobalt(II) hexafluorophosphate hexa-acetonitrile solvate
CID 139160960
bis[5,5"-bis-(4-methoxy-2,6-dimethylphenyl)-[2,2':6,2"]terpyridine]ruthenium(II) hexafluorophosphate hexa-acetonitrile solvate
CID 139160961
bis[5,5"-bis-(4-methoxy-2,6-dimethylphenyl)-[2,2':6,2"]terpyridine]osmium(II) hexafluorophosphate hexa-acetonitrile solvate
CID 139160962
Cobalt(2+);methanol;bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
CID 139173281
Cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
CID 139173283
bis(iron(4+));methanolate;bis(naphthalen-2-olate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate
CID 168338219
Dioxidanium;bis(dysprosium(3+));bis(4-fluoro-2-[[2-[(5-fluoro-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diiodide
CID 168342406
Benzene;bis(pyrene-4,5-diolate);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diperchlorate
CID 168343892

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate?
The IUPAC name of bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate (CID 139081429) is bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate.
What is the SMILES notation for bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate?
The canonical SMILES for bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.[Co+3].[Co+3].[O-]c1cc2ccccc2cc1[O-].[O-]c1cc2ccccc2cc1[O-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate?
The InChIKey is PENWVZLGYXJZFI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C18H18N4.2C10H8O2.2Co.2F6P.H2O/c2*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;2*11-9-5-7-3-1-2-4-8(7)6-10(9)12;;;2*1-7(2,3,4,5)6;/h2*1-12H,13-15H2;2*1-6,11-12H;;;;;1H2/q;;;;2*+3;2*-1;/p-4.
What are the key properties of bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate?
bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate has a molecular weight of 1322.86 g/mol, XLogP of 14.06, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);dihexafluorophosphate;hydrate is sourced from PubChem (CID 139081429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).