(2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione

C32H42N4O2 — CID 5485452

IUPAC(2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
SMILESCCCCCCCCCCCCc1ccc(N/N=c2/c(=O)cc/c(=N\Nc3ccc(C)cc3C)c2=O)cc1
InChIInChI=1S/C32H42N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-26-16-18-27(19-17-26)33-36-31-30(37)22-21-29(32(31)38)35-34-28-20-15-24(2)23-25(28)3/h15-23,33-34H,4-14H2,1-3H3/b35-29+,36-31-
InChIKeyRNYLPFLJEGTSBN-LEGHUOSCSA-N
MW514.71 g/mol
LogP6.22
Rot. Bonds15

About (2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione

(2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione (PubChem CID 5485452) has the molecular formula C32H42N4O2 and a molecular weight of 514.71 g/mol. Its IUPAC name is (2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name(2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
PubChem CID5485452
Molecular FormulaC32H42N4O2
Molecular Weight514.71 g/mol
Exact Mass514.33
IUPAC Name(2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
SMILESCCCCCCCCCCCCc1ccc(N/N=c2/c(=O)cc/c(=N\Nc3ccc(C)cc3C)c2=O)cc1
InChIInChI=1S/C32H42N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-26-16-18-27(19-17-26)33-36-31-30(37)22-21-29(32(31)38)35-34-28-20-15-24(2)23-25(28)3/h15-23,33-34H,4-14H2,1-3H3/b35-29+,36-31-
InChIKeyRNYLPFLJEGTSBN-LEGHUOSCSA-N
XLogP6.22
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 (2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione?
The IUPAC name of (2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione (CID 5485452) is (2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione.
What is the SMILES notation for (2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione?
The canonical SMILES for (2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione is CCCCCCCCCCCCc1ccc(N/N=c2/c(=O)cc/c(=N\Nc3ccc(C)cc3C)c2=O)cc1.
What is the InChIKey of (2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione?
The InChIKey is RNYLPFLJEGTSBN-LEGHUOSCSA-N. The full InChI is InChI=1S/C32H42N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-26-16-18-27(19-17-26)33-36-31-30(37)22-21-29(32(31)38)35-34-28-20-15-24(2)23-25(28)3/h15-23,33-34H,4-14H2,1-3H3/b35-29+,36-31-.
What are the key properties of (2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione?
(2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione has a molecular weight of 514.71 g/mol, XLogP of 6.22, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione is sourced from PubChem (CID 5485452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).