disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide

C24H32N2Na2 — CID 139103370

IUPACdisodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide
SMILESCCc1cccc(CC)c1[N-]/C(C)=C(/C)[N-]c1c(CC)cccc1CC.[Na+].[Na+]
InChIInChI=1S/C24H32N2.2Na/c1-7-19-13-11-14-20(8-2)23(19)25-17(5)18(6)26-24-21(9-3)15-12-16-22(24)10-4;;/h11-16H,7-10H2,1-6H3;;/q-2;2*+1/b18-17-;;
InChIKeyIGLFLMIJSWZXMR-NSGFTINJSA-N
MW394.51 g/mol
LogP1.91
Rot. Bonds8

About disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide

disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide (PubChem CID 139103370) has the molecular formula C24H32N2Na2 and a molecular weight of 394.51 g/mol. Its IUPAC name is disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide.

Molecular Properties

Compound Namedisodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide
PubChem CID139103370
Molecular FormulaC24H32N2Na2
Molecular Weight394.51 g/mol
Exact Mass394.24
IUPAC Namedisodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide
SMILESCCc1cccc(CC)c1[N-]/C(C)=C(/C)[N-]c1c(CC)cccc1CC.[Na+].[Na+]
InChIInChI=1S/C24H32N2.2Na/c1-7-19-13-11-14-20(8-2)23(19)25-17(5)18(6)26-24-21(9-3)15-12-16-22(24)10-4;;/h11-16H,7-10H2,1-6H3;;/q-2;2*+1/b18-17-;;
InChIKeyIGLFLMIJSWZXMR-NSGFTINJSA-N
XLogP1.91
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(2,6-diethylphenyl) acetate
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2-(2,6-diethylphenyl)propan-2-ol
CID 117283274
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1,3-diethyl-2-iodobenzene
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CID 89388803
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
CID 113076338
(2,6-diethylphenyl)-[2,4,5-tris[(2,6-diethylphenyl)azanidyl]phenyl]azanide;bis(nickel(3+));bis((Z)-4-oxopent-2-en-2-olate)
CID 139165351
bis(trimethylsilyl)azanide;(2,6-diethylphenyl)-[(Z)-4-[(1S,2S)-2-[[(Z)-4-(2,6-diethylphenyl)azanidylpent-3-en-2-ylidene]amino]cyclohexyl]iminopent-2-en-2-yl]azanide;yttrium(3+)
CID 139203929

Frequently Asked Questions

What is the IUPAC name of disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide?
The IUPAC name of disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide (CID 139103370) is disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide.
What is the SMILES notation for disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide?
The canonical SMILES for disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide is CCc1cccc(CC)c1[N-]/C(C)=C(/C)[N-]c1c(CC)cccc1CC.[Na+].[Na+].
What is the InChIKey of disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide?
The InChIKey is IGLFLMIJSWZXMR-NSGFTINJSA-N. The full InChI is InChI=1S/C24H32N2.2Na/c1-7-19-13-11-14-20(8-2)23(19)25-17(5)18(6)26-24-21(9-3)15-12-16-22(24)10-4;;/h11-16H,7-10H2,1-6H3;;/q-2;2*+1/b18-17-;;.
What are the key properties of disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide?
disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide has a molecular weight of 394.51 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide is sourced from PubChem (CID 139103370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).