bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))

C64H96N4O3V2 — CID 139180324

IUPACbis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))
SMILESC/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.CCCCCC.[O-2].[O-2].[O-2].[V+4].[V+4]
InChIInChI=1S/2C29H41N2.C6H14.3O.2V/c2*1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;1-3-5-6-4-2;;;;;/h2*11-21H,1-10H3;3-6H2,1-2H3;;;;;/q2*-1;;3*-2;2*+4/b2*22-17-,31-23+;;;;;;
InChIKeyMARXNKDZCGPUFL-JUZBKSEKSA-N
MW1071.38 g/mol
LogP21.99
Rot. Bonds19

About bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))

bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+)) (PubChem CID 139180324) has the molecular formula C64H96N4O3V2 and a molecular weight of 1071.38 g/mol. Its IUPAC name is bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+)).

Molecular Properties

Compound Namebis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))
PubChem CID139180324
Molecular FormulaC64H96N4O3V2
Molecular Weight1071.38 g/mol
Exact Mass1070.64
IUPAC Namebis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))
SMILESC/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.CCCCCC.[O-2].[O-2].[O-2].[V+4].[V+4]
InChIInChI=1S/2C29H41N2.C6H14.3O.2V/c2*1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;1-3-5-6-4-2;;;;;/h2*11-21H,1-10H3;3-6H2,1-2H3;;;;;/q2*-1;;3*-2;2*+4/b2*22-17-,31-23+;;;;;;
InChIKeyMARXNKDZCGPUFL-JUZBKSEKSA-N
XLogP21.99
TPSA138.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.38
LogP ≤ 521.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+)) with MolForge

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Related Compounds

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
copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine
CID 139133313
tetramagnesium;tetrakis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);toluene;tetraiodide
CID 139088211
azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;manganese(2+);oxolane
CID 153286122
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
dialuminum;bis(2-[2-[[(Z)-4-[2,6-di(propan-2-yl)phenyl]azanidylpent-3-en-2-ylidene]amino]-3-propan-2-ylphenyl]propan-2-olate);ethoxyethane;dihydroxide
CID 139138441
benzenethiolate;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;oxolane;samarium(3+)
CID 162409254
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
[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
magnesium;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;2H-pyrazin-2-ide;toluene
CID 139187331
bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium
CID 139114175
bis((Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-olate);titanium(4+);sulfide
CID 139130538

Frequently Asked Questions

What is the IUPAC name of bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))?
The IUPAC name of bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+)) (CID 139180324) is bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+)).
What is the SMILES notation for bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))?
The canonical SMILES for bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+)) is C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.CCCCCC.[O-2].[O-2].[O-2].[V+4].[V+4].
What is the InChIKey of bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))?
The InChIKey is MARXNKDZCGPUFL-JUZBKSEKSA-N. The full InChI is InChI=1S/2C29H41N2.C6H14.3O.2V/c2*1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;1-3-5-6-4-2;;;;;/h2*11-21H,1-10H3;3-6H2,1-2H3;;;;;/q2*-1;;3*-2;2*+4/b2*22-17-,31-23+;;;;;;.
What are the key properties of bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))?
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+)) has a molecular weight of 1071.38 g/mol, XLogP of 21.99, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+)) is sourced from PubChem (CID 139180324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).