2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine

C24H19Cl3N4 — CID 5475348

IUPAC2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine
SMILESNC(N)=N/N=C(\C=C\C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl3N4/c25-19-10-4-16(5-11-19)22(17-6-12-20(26)13-7-17)2-1-3-23(30-31-24(28)29)18-8-14-21(27)15-9-18/h1-15H,(H4,28,29,31)/b3-1+,30-23+
InChIKeyCGERTGROJICAEY-HHIQNHBISA-N
MW469.80 g/mol
LogP6.31
Rot. Bonds6

About 2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine

2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine (PubChem CID 5475348) has the molecular formula C24H19Cl3N4 and a molecular weight of 469.80 g/mol. Its IUPAC name is 2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine
PubChem CID5475348
Molecular FormulaC24H19Cl3N4
Molecular Weight469.80 g/mol
Exact Mass468.07
IUPAC Name2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine
SMILESNC(N)=N/N=C(\C=C\C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl3N4/c25-19-10-4-16(5-11-19)22(17-6-12-20(26)13-7-17)2-1-3-23(30-31-24(28)29)18-8-14-21(27)15-9-18/h1-15H,(H4,28,29,31)/b3-1+,30-23+
InChIKeyCGERTGROJICAEY-HHIQNHBISA-N
XLogP6.31
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.80
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine (CID 5475348) is 2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine is NC(N)=N/N=C(\C=C\C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine?
The InChIKey is CGERTGROJICAEY-HHIQNHBISA-N. The full InChI is InChI=1S/C24H19Cl3N4/c25-19-10-4-16(5-11-19)22(17-6-12-20(26)13-7-17)2-1-3-23(30-31-24(28)29)18-8-14-21(27)15-9-18/h1-15H,(H4,28,29,31)/b3-1+,30-23+.
What are the key properties of 2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine?
2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine has a molecular weight of 469.80 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine is sourced from PubChem (CID 5475348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).