ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane

C125H236Fe4N10O8 — CID 162268806

IUPACethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C/C(=N\C(C)(C)C(C)(C)/N=C(\C)c1ccccc1O)c1ccccc1O.C/C(=N\C1CCCC1/N=C(\C)c1ccccc1O)c1ccccc1O.C/C(=N\c1ccccc1/N=C(\C)c1ccccc1O)c1ccccc1O.CC.CC.CC.CC.CC.CC.CC.CC.CC.Oc1ncccc1/C=N/c1ccccc1/N=C/c1cccnc1O.[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/C22H20N2O2.C22H28N2O2.C21H24N2O2.C18H14N4O2.9C2H6.24CH4.4Fe/c1-15(17-9-3-7-13-21(17)25)23-19-11-5-6-12-20(19)24-16(2)18-10-4-8-14-22(18)26;1-15(17-11-7-9-13-19(17)25)23-21(3,4)22(5,6)24-16(2)18-12-8-10-14-20(18)26;1-14(16-8-3-5-12-20(16)24)22-18-10-7-11-19(18)23-15(2)17-9-4-6-13-21(17)25;23-17-13(5-3-9-19-17)11-21-15-7-1-2-8-16(15)22-12-14-6-4-10-20-18(14)24;9*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-14,25-26H,1-2H3;7-14,25-26H,1-6H3;3-6,8-9,12-13,18-19,24-25H,7,10-11H2,1-2H3;1-12H,(H,19,23)(H,20,24);9*1-2H3;24*1H4;;;;/b2*23-15+,24-16+;22-14+,23-15+;21-11+,22-12+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQPUMJXCZPJSHDW-WBPZIABFSA-N
MW2230.70 g/mol
LogP42.57
Rot. Bonds17

About ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane

ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane (PubChem CID 162268806) has the molecular formula C125H236Fe4N10O8 and a molecular weight of 2230.70 g/mol. Its IUPAC name is ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane.

Molecular Properties

Compound Nameethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane
PubChem CID162268806
Molecular FormulaC125H236Fe4N10O8
Molecular Weight2230.70 g/mol
Exact Mass2229.58
IUPAC Nameethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C/C(=N\C(C)(C)C(C)(C)/N=C(\C)c1ccccc1O)c1ccccc1O.C/C(=N\C1CCCC1/N=C(\C)c1ccccc1O)c1ccccc1O.C/C(=N\c1ccccc1/N=C(\C)c1ccccc1O)c1ccccc1O.CC.CC.CC.CC.CC.CC.CC.CC.CC.Oc1ncccc1/C=N/c1ccccc1/N=C/c1cccnc1O.[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/C22H20N2O2.C22H28N2O2.C21H24N2O2.C18H14N4O2.9C2H6.24CH4.4Fe/c1-15(17-9-3-7-13-21(17)25)23-19-11-5-6-12-20(19)24-16(2)18-10-4-8-14-22(18)26;1-15(17-11-7-9-13-19(17)25)23-21(3,4)22(5,6)24-16(2)18-12-8-10-14-20(18)26;1-14(16-8-3-5-12-20(16)24)22-18-10-7-11-19(18)23-15(2)17-9-4-6-13-21(17)25;23-17-13(5-3-9-19-17)11-21-15-7-1-2-8-16(15)22-12-14-6-4-10-20-18(14)24;9*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-14,25-26H,1-2H3;7-14,25-26H,1-6H3;3-6,8-9,12-13,18-19,24-25H,7,10-11H2,1-2H3;1-12H,(H,19,23)(H,20,24);9*1-2H3;24*1H4;;;;/b2*23-15+,24-16+;22-14+,23-15+;21-11+,22-12+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQPUMJXCZPJSHDW-WBPZIABFSA-N
XLogP42.57
TPSA286.50 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002230.70
LogP ≤ 542.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane 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(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium
CID 139052350
dizinc;acetonitrile;bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(3-[(2R)-1-methylpyrrolidin-2-yl]pyridine)
CID 139127793
dizinc;2-tert-butyl-6-[[2,4,5-tris[(3-tert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;3-[(2R)-1-methylpyrrolidin-2-yl]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 139127794
N-[2,3-dimethyl-3-(pyrrol-1-id-2-ylmethylideneamino)butan-2-yl]-1-pyrrol-1-id-2-ylmethanimine;N-[4,5-dimethyl-2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]-1-pyrrol-1-id-2-ylmethanimine;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]phenol;2-[[3-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenol;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;2-[[2-[(2-hydroxyphenyl)methylideneamino]-4-methylphenyl]iminomethyl]phenol;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;platinum;tris(platinum(2+));1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)ethyl]methanimine
CID 161388141

Frequently Asked Questions

What is the IUPAC name of ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane?
The IUPAC name of ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane (CID 162268806) is ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane.
What is the SMILES notation for ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane?
The canonical SMILES for ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C/C(=N\C(C)(C)C(C)(C)/N=C(\C)c1ccccc1O)c1ccccc1O.C/C(=N\C1CCCC1/N=C(\C)c1ccccc1O)c1ccccc1O.C/C(=N\c1ccccc1/N=C(\C)c1ccccc1O)c1ccccc1O.CC.CC.CC.CC.CC.CC.CC.CC.CC.Oc1ncccc1/C=N/c1ccccc1/N=C/c1cccnc1O.[Fe].[Fe].[Fe].[Fe].
What is the InChIKey of ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane?
The InChIKey is QPUMJXCZPJSHDW-WBPZIABFSA-N. The full InChI is InChI=1S/C22H20N2O2.C22H28N2O2.C21H24N2O2.C18H14N4O2.9C2H6.24CH4.4Fe/c1-15(17-9-3-7-13-21(17)25)23-19-11-5-6-12-20(19)24-16(2)18-10-4-8-14-22(18)26;1-15(17-11-7-9-13-19(17)25)23-21(3,4)22(5,6)24-16(2)18-12-8-10-14-20(18)26;1-14(16-8-3-5-12-20(16)24)22-18-10-7-11-19(18)23-15(2)17-9-4-6-13-21(17)25;23-17-13(5-3-9-19-17)11-21-15-7-1-2-8-16(15)22-12-14-6-4-10-20-18(14)24;9*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-14,25-26H,1-2H3;7-14,25-26H,1-6H3;3-6,8-9,12-13,18-19,24-25H,7,10-11H2,1-2H3;1-12H,(H,19,23)(H,20,24);9*1-2H3;24*1H4;;;;/b2*23-15+,24-16+;22-14+,23-15+;21-11+,22-12+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane?
ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane has a molecular weight of 2230.70 g/mol, XLogP of 42.57, 17 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]cyclopentyl]-C-methylcarbonimidoyl]phenol;2-[N-[3-[1-(2-hydroxyphenyl)ethylideneamino]-2,3-dimethylbutan-2-yl]-C-methylcarbonimidoyl]phenol;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]phenol;3-[[2-[(2-hydroxy-3-pyridinyl)methylideneamino]phenyl]iminomethyl]pyridin-2-ol;iron;methane is sourced from PubChem (CID 162268806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).