tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron

C72H88Fe2N8 — CID 139116947

IUPACtetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.[Fe].[Fe]
InChIInChI=1S/4C18H22N2.2Fe/c4*1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;;/h4*5-14H,1-4H3;;/b4*20-12+;;
InChIKeyGMPORVIYLJDCIJ-YMLOTSGLSA-N
MW1177.24 g/mol
LogP20.31
Rot. Bonds16

About tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron

tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron (PubChem CID 139116947) has the molecular formula C72H88Fe2N8 and a molecular weight of 1177.24 g/mol. Its IUPAC name is tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron.

Molecular Properties

Compound Nametetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron
PubChem CID139116947
Molecular FormulaC72H88Fe2N8
Molecular Weight1177.24 g/mol
Exact Mass1176.58
IUPAC Nametetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.[Fe].[Fe]
InChIInChI=1S/4C18H22N2.2Fe/c4*1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;;/h4*5-14H,1-4H3;;/b4*20-12+;;
InChIKeyGMPORVIYLJDCIJ-YMLOTSGLSA-N
XLogP20.31
TPSA101.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001177.24
LogP ≤ 520.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
CID 5486195
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CID 23729420
1-[[3-[3-[[4-(dimethylamino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N,N-dimethylquinolin-1-ium-4-amine dibromide
CID 11399746
ZINC;5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide
CID 5489106
Pyridoclax
CID 92042827
Zinc tetra(4-N-methylpyridyl)porphine
CID 4547397
Tris(2-phenylpyridine)iridium
CID 45358635
2,4,6-Tri(pyridin-4-yl)pyridine
CID 46317148
4,4',4''-Tris[(3-methylphenyl)phenylamino]triphenylamine
CID 51358305
1,1,2,2-Tetrakis(4-(pyridin-4-yl)phenyl)ethene
CID 90642886
2-[3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenyl]acetonitrile
CID 162653149
2-[3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenyl]acetonitrile
CID 162655461

Frequently Asked Questions

What is the IUPAC name of tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron?
The IUPAC name of tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron (CID 139116947) is tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron.
What is the SMILES notation for tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron?
The canonical SMILES for tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron is CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.[Fe].[Fe].
What is the InChIKey of tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron?
The InChIKey is GMPORVIYLJDCIJ-YMLOTSGLSA-N. The full InChI is InChI=1S/4C18H22N2.2Fe/c4*1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;;/h4*5-14H,1-4H3;;/b4*20-12+;;.
What are the key properties of tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron?
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron has a molecular weight of 1177.24 g/mol, XLogP of 20.31, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron is sourced from PubChem (CID 139116947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).