dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine

C28H22Cl2FeN2O — CID 20701769

IUPACdichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine
SMILESC/C(=N\c1cccc2ccccc12)c1ccc(/C(C)=N/c2cccc3ccccc23)o1.Cl[Fe]Cl
InChIInChI=1S/C28H22N2O.2ClH.Fe/c1-19(29-25-15-7-11-21-9-3-5-13-23(21)25)27-17-18-28(31-27)20(2)30-26-16-8-12-22-10-4-6-14-24(22)26;;;/h3-18H,1-2H3;2*1H;/q;;;+2/p-2/b29-19+,30-20+;;;
InChIKeyDWWNFTSEGDNFEQ-PEXCPJROSA-L
MW529.25 g/mol
LogP9.24
Rot. Bonds4

About dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine

dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine (PubChem CID 20701769) has the molecular formula C28H22Cl2FeN2O and a molecular weight of 529.25 g/mol. Its IUPAC name is dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine.

Molecular Properties

Compound Namedichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine
PubChem CID20701769
Molecular FormulaC28H22Cl2FeN2O
Molecular Weight529.25 g/mol
Exact Mass528.05
IUPAC Namedichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine
SMILESC/C(=N\c1cccc2ccccc12)c1ccc(/C(C)=N/c2cccc3ccccc23)o1.Cl[Fe]Cl
InChIInChI=1S/C28H22N2O.2ClH.Fe/c1-19(29-25-15-7-11-21-9-3-5-13-23(21)25)27-17-18-28(31-27)20(2)30-26-16-8-12-22-10-4-6-14-24(22)26;;;/h3-18H,1-2H3;2*1H;/q;;;+2/p-2/b29-19+,30-20+;;;
InChIKeyDWWNFTSEGDNFEQ-PEXCPJROSA-L
XLogP9.24
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.25
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine;dichloroiron
CID 20701711
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
N-naphthalen-1-ylpropanimidoyl chloride
CID 134896814
N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253
1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)furan-2-yl]-N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethanimine;dichloroiron
CID 20702109
1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine
CID 71397092
N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron
CID 20702003
dichloroiron;1-[6-[C-methyl-N-(2-methylnaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methylnaphthalen-1-yl)ethanimine
CID 58667103
dichloroiron(1+);N-naphthalen-1-yl-1-[5-(naphthalen-1-yliminomethyl)pyrrol-1-id-2-yl]ethanimine
CID 18719434
1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine
CID 18719145
N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
CID 20701710
dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 20701761

Frequently Asked Questions

What is the IUPAC name of dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine?
The IUPAC name of dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine (CID 20701769) is dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine.
What is the SMILES notation for dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine?
The canonical SMILES for dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine is C/C(=N\c1cccc2ccccc12)c1ccc(/C(C)=N/c2cccc3ccccc23)o1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine?
The InChIKey is DWWNFTSEGDNFEQ-PEXCPJROSA-L. The full InChI is InChI=1S/C28H22N2O.2ClH.Fe/c1-19(29-25-15-7-11-21-9-3-5-13-23(21)25)27-17-18-28(31-27)20(2)30-26-16-8-12-22-10-4-6-14-24(22)26;;;/h3-18H,1-2H3;2*1H;/q;;;+2/p-2/b29-19+,30-20+;;;.
What are the key properties of dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine?
dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine has a molecular weight of 529.25 g/mol, XLogP of 9.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine is sourced from PubChem (CID 20701769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).