chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate

C42H38Cl6CoF6N4O4P — CID 139041543

IUPACchloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate
SMILESCOc1ccc(/C=N/[C@H](c2ccccc2)[C@@H](/N=C/c2ccc(OC)cc2[O-])c2ccccc2)c([O-])c1.ClC(Cl)Cl.ClC(Cl)Cl.F[P-](F)(F)(F)(F)F.[Co+3].c1ccncc1.c1ccncc1
InChIInChI=1S/C30H28N2O4.2C5H5N.2CHCl3.Co.F6P/c1-35-25-15-13-23(27(33)17-25)19-31-29(21-9-5-3-6-10-21)30(22-11-7-4-8-12-22)32-20-24-14-16-26(36-2)18-28(24)34;2*1-2-4-6-5-3-1;2*2-1(3)4;;1-7(2,3,4,5)6/h3-20,29-30,33-34H,1-2H3;2*1-5H;2*1H;;/q;;;;;+3;-1/p-2/b31-19+,32-20+;;;;;;/t29-,30+;;;;;;
InChIKeyFMYIZEZFKCBQGB-OCTVBDPNSA-L
MW1079.40 g/mol
LogP14.39
Rot. Bonds9

About chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate

chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate (PubChem CID 139041543) has the molecular formula C42H38Cl6CoF6N4O4P and a molecular weight of 1079.40 g/mol. Its IUPAC name is chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate.

Molecular Properties

Compound Namechloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate
PubChem CID139041543
Molecular FormulaC42H38Cl6CoF6N4O4P
Molecular Weight1079.40 g/mol
Exact Mass1076.00
IUPAC Namechloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate
SMILESCOc1ccc(/C=N/[C@H](c2ccccc2)[C@@H](/N=C/c2ccc(OC)cc2[O-])c2ccccc2)c([O-])c1.ClC(Cl)Cl.ClC(Cl)Cl.F[P-](F)(F)(F)(F)F.[Co+3].c1ccncc1.c1ccncc1
InChIInChI=1S/C30H28N2O4.2C5H5N.2CHCl3.Co.F6P/c1-35-25-15-13-23(27(33)17-25)19-31-29(21-9-5-3-6-10-21)30(22-11-7-4-8-12-22)32-20-24-14-16-26(36-2)18-28(24)34;2*1-2-4-6-5-3-1;2*2-1(3)4;;1-7(2,3,4,5)6/h3-20,29-30,33-34H,1-2H3;2*1-5H;2*1H;;/q;;;;;+3;-1/p-2/b31-19+,32-20+;;;;;;/t29-,30+;;;;;;
InChIKeyFMYIZEZFKCBQGB-OCTVBDPNSA-L
XLogP14.39
TPSA115.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.40
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate 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

ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis-dioxomolybdenum(VI) gamma
CID 139146570
pyridine(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis-dioxomolybdenum(VI)
CID 139146572
dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine)
CID 139177740
3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;3-methoxy-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
CID 161586533
Dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine
CID 164924810
8,10,14,16,24,26,30-Heptamethoxy-4,20-diazaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7,9,11(37),13(36),14,16,18,20,22(35),23,25,27(34),29,31-octadecaene
CID 169938368
5-[(E)-2-[4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2-[5-[(E)-2-[4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2-pyridinyl]pyridine
CID 101502384

Frequently Asked Questions

What is the IUPAC name of chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate?
The IUPAC name of chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate (CID 139041543) is chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate.
What is the SMILES notation for chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate?
The canonical SMILES for chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate is COc1ccc(/C=N/[C@H](c2ccccc2)[C@@H](/N=C/c2ccc(OC)cc2[O-])c2ccccc2)c([O-])c1.ClC(Cl)Cl.ClC(Cl)Cl.F[P-](F)(F)(F)(F)F.[Co+3].c1ccncc1.c1ccncc1.
What is the InChIKey of chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate?
The InChIKey is FMYIZEZFKCBQGB-OCTVBDPNSA-L. The full InChI is InChI=1S/C30H28N2O4.2C5H5N.2CHCl3.Co.F6P/c1-35-25-15-13-23(27(33)17-25)19-31-29(21-9-5-3-6-10-21)30(22-11-7-4-8-12-22)32-20-24-14-16-26(36-2)18-28(24)34;2*1-2-4-6-5-3-1;2*2-1(3)4;;1-7(2,3,4,5)6/h3-20,29-30,33-34H,1-2H3;2*1-5H;2*1H;;/q;;;;;+3;-1/p-2/b31-19+,32-20+;;;;;;/t29-,30+;;;;;;.
What are the key properties of chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate?
chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate has a molecular weight of 1079.40 g/mol, XLogP of 14.39, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate is sourced from PubChem (CID 139041543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).