[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)

C47H71FeN3 — CID 139130265

IUPAC[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/C=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(C)(C)C)C(C)(C)C.CC(C)c1cccc(C(C)C)c1[NH-].[Fe+2]
InChIInChI=1S/C35H53N2.C12H18N.Fe/c1-22(2)26-17-15-18-27(23(3)4)32(26)36-30(34(9,10)11)21-31(35(12,13)14)37-33-28(24(5)6)19-16-20-29(33)25(7)8;1-8(2)10-6-5-7-11(9(3)4)12(10)13;/h15-25H,1-14H3;5-9,13H,1-4H3;/q2*-1;+2/b30-21-,37-31-;;
InChIKeyLRTYGULZYPVEEP-WOSDKRSLSA-N
MW733.95 g/mol
LogP16.55
Rot. Bonds10

About [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)

[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+) (PubChem CID 139130265) has the molecular formula C47H71FeN3 and a molecular weight of 733.95 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+).

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)
PubChem CID139130265
Molecular FormulaC47H71FeN3
Molecular Weight733.95 g/mol
Exact Mass733.50
IUPAC Name[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/C=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(C)(C)C)C(C)(C)C.CC(C)c1cccc(C(C)C)c1[NH-].[Fe+2]
InChIInChI=1S/C35H53N2.C12H18N.Fe/c1-22(2)26-17-15-18-27(23(3)4)32(26)36-30(34(9,10)11)21-31(35(12,13)14)37-33-28(24(5)6)19-16-20-29(33)25(7)8;1-8(2)10-6-5-7-11(9(3)4)12(10)13;/h15-25H,1-14H3;5-9,13H,1-4H3;/q2*-1;+2/b30-21-,37-31-;;
InChIKeyLRTYGULZYPVEEP-WOSDKRSLSA-N
XLogP16.55
TPSA50.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.95
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+) with MolForge

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Related Compounds

copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite
CID 139187258
[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 177489301
benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide
CID 162414801
N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline
CID 72959562
[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide
CID 23523221
[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide
CID 102382050
acetonitrile;copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 139152919
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
copper;4-tert-butylphenolate;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide
CID 139133972
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
CID 139115698
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
CID 139128645
aluminum;[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(2-propan-2-yl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]azanide
CID 11239909

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+) (CID 139130265) is [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+).
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+) is CC(C)c1cccc(C(C)C)c1/N=C(/C=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(C)(C)C)C(C)(C)C.CC(C)c1cccc(C(C)C)c1[NH-].[Fe+2].
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)?
The InChIKey is LRTYGULZYPVEEP-WOSDKRSLSA-N. The full InChI is InChI=1S/C35H53N2.C12H18N.Fe/c1-22(2)26-17-15-18-27(23(3)4)32(26)36-30(34(9,10)11)21-31(35(12,13)14)37-33-28(24(5)6)19-16-20-29(33)25(7)8;1-8(2)10-6-5-7-11(9(3)4)12(10)13;/h15-25H,1-14H3;5-9,13H,1-4H3;/q2*-1;+2/b30-21-,37-31-;;.
What are the key properties of [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)?
[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+) has a molecular weight of 733.95 g/mol, XLogP of 16.55, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+) is sourced from PubChem (CID 139130265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).