N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide

C30H28Br4Fe2N6 — CID 173091119

IUPACN-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide
SMILESBr.Br.Br.Br.Cc1cc(/N=C/c2cccc(-c3ccccn3)n2)c(C)cc1/N=C/c1cccc(-c2ccccn2)n1.[Fe].[Fe]
InChIInChI=1S/C30H24N6.4BrH.2Fe/c1-21-17-30(34-20-24-10-8-14-28(36-24)26-12-4-6-16-32-26)22(2)18-29(21)33-19-23-9-7-13-27(35-23)25-11-3-5-15-31-25;;;;;;/h3-20H,1-2H3;4*1H;;/b33-19+,34-20+;;;;;;
InChIKeyUTBAXSKUTOOUAZ-JRWVYUQZSA-N
MW903.90 g/mol
LogP9.03
Rot. Bonds6

About N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide

N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide (PubChem CID 173091119) has the molecular formula C30H28Br4Fe2N6 and a molecular weight of 903.90 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide
PubChem CID173091119
Molecular FormulaC30H28Br4Fe2N6
Molecular Weight903.90 g/mol
Exact Mass899.78
IUPAC NameN-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide
SMILESBr.Br.Br.Br.Cc1cc(/N=C/c2cccc(-c3ccccn3)n2)c(C)cc1/N=C/c1cccc(-c2ccccn2)n1.[Fe].[Fe]
InChIInChI=1S/C30H24N6.4BrH.2Fe/c1-21-17-30(34-20-24-10-8-14-28(36-24)26-12-4-6-16-32-26)22(2)18-29(21)33-19-23-9-7-13-27(35-23)25-11-3-5-15-31-25;;;;;;/h3-20H,1-2H3;4*1H;;/b33-19+,34-20+;;;;;;
InChIKeyUTBAXSKUTOOUAZ-JRWVYUQZSA-N
XLogP9.03
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.90
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide with MolForge

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Launch Full Analysis

Related Compounds

1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine
CID 68534442
1-(6-pyridin-2-yl-2-pyridinyl)-N-[6-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]-2-pyridinyl]methanimine
CID 71078729
1-(6-pyridin-2-yl-2-pyridinyl)-N-[2-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]ethyl]methanimine
CID 102521217
N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine
CID 101384973
N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine
CID 68746503
N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine
CID 58233166
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 66821845
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine
CID 68747629
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
CID 139291560

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide?
The IUPAC name of N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide (CID 173091119) is N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide.
What is the SMILES notation for N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide?
The canonical SMILES for N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide is Br.Br.Br.Br.Cc1cc(/N=C/c2cccc(-c3ccccn3)n2)c(C)cc1/N=C/c1cccc(-c2ccccn2)n1.[Fe].[Fe].
What is the InChIKey of N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide?
The InChIKey is UTBAXSKUTOOUAZ-JRWVYUQZSA-N. The full InChI is InChI=1S/C30H24N6.4BrH.2Fe/c1-21-17-30(34-20-24-10-8-14-28(36-24)26-12-4-6-16-32-26)22(2)18-29(21)33-19-23-9-7-13-27(35-23)25-11-3-5-15-31-25;;;;;;/h3-20H,1-2H3;4*1H;;/b33-19+,34-20+;;;;;;.
What are the key properties of N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide?
N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide has a molecular weight of 903.90 g/mol, XLogP of 9.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide is sourced from PubChem (CID 173091119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).