2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile

C23H26N4 — CID 169338035

IUPAC2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2NN=C(C#N)C#N)cc1
InChIInChI=1S/C23H26N4/c1-22(2,3)17-9-7-16(8-10-17)20-12-11-18(23(4,5)6)13-21(20)27-26-19(14-24)15-25/h7-13,27H,1-6H3
InChIKeyMHDFWWLNFRMKMV-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.76
Rot. Bonds3

About 2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile

2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169338035) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169338035
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2NN=C(C#N)C#N)cc1
InChIInChI=1S/C23H26N4/c1-22(2,3)17-9-7-16(8-10-17)20-12-11-18(23(4,5)6)13-21(20)27-26-19(14-24)15-25/h7-13,27H,1-6H3
InChIKeyMHDFWWLNFRMKMV-UHFFFAOYSA-N
XLogP5.76
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile (CID 169338035) is 2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2NN=C(C#N)C#N)cc1.
What is the InChIKey of 2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is MHDFWWLNFRMKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-22(2,3)17-9-7-16(8-10-17)20-12-11-18(23(4,5)6)13-21(20)27-26-19(14-24)15-25/h7-13,27H,1-6H3.
What are the key properties of 2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 358.49 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).