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

C22H22N4O2 — CID 5486588

IUPAC(2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
SMILESCc1ccc(N/N=c2/ccc(=O)/c(=N\Nc3ccc(C)cc3C)c2=O)c(C)c1
InChIInChI=1S/C22H22N4O2/c1-13-5-7-17(15(3)11-13)23-25-19-9-10-20(27)21(22(19)28)26-24-18-8-6-14(2)12-16(18)4/h5-12,23-24H,1-4H3/b25-19-,26-21+
InChIKeyJTHUBMQPODORFF-NRTBZSEMSA-N
MW374.44 g/mol
LogP2.37
Rot. Bonds4

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

(2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione (PubChem CID 5486588) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name(2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
PubChem CID5486588
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
SMILESCc1ccc(N/N=c2/ccc(=O)/c(=N\Nc3ccc(C)cc3C)c2=O)c(C)c1
InChIInChI=1S/C22H22N4O2/c1-13-5-7-17(15(3)11-13)23-25-19-9-10-20(27)21(22(19)28)26-24-18-8-6-14(2)12-16(18)4/h5-12,23-24H,1-4H3/b25-19-,26-21+
InChIKeyJTHUBMQPODORFF-NRTBZSEMSA-N
XLogP2.37
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', '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 (2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione?
The IUPAC name of (2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione (CID 5486588) is (2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione.
What is the SMILES notation for (2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione?
The canonical SMILES for (2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione is Cc1ccc(N/N=c2/ccc(=O)/c(=N\Nc3ccc(C)cc3C)c2=O)c(C)c1.
What is the InChIKey of (2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione?
The InChIKey is JTHUBMQPODORFF-NRTBZSEMSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-5-7-17(15(3)11-13)23-25-19-9-10-20(27)21(22(19)28)26-24-18-8-6-14(2)12-16(18)4/h5-12,23-24H,1-4H3/b25-19-,26-21+.
What are the key properties of (2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione?
(2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione has a molecular weight of 374.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione is sourced from PubChem (CID 5486588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).