2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine

C22H20N4 — CID 52941533

IUPAC2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H20N4/c23-22(24)26-25-21(20-9-5-2-6-10-20)16-13-17-11-14-19(15-12-17)18-7-3-1-4-8-18/h1-16H,(H4,23,24,26)/b16-13+,25-21-
InChIKeyPORKPOKRFKMVCF-MNAAYFIDSA-N
MW340.43 g/mol
LogP4.04
Rot. Bonds5

About 2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine

2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine (PubChem CID 52941533) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine
PubChem CID52941533
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H20N4/c23-22(24)26-25-21(20-9-5-2-6-10-20)16-13-17-11-14-19(15-12-17)18-7-3-1-4-8-18/h1-16H,(H4,23,24,26)/b16-13+,25-21-
InChIKeyPORKPOKRFKMVCF-MNAAYFIDSA-N
XLogP4.04
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine (CID 52941533) is 2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine is NC(N)=N/N=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine?
The InChIKey is PORKPOKRFKMVCF-MNAAYFIDSA-N. The full InChI is InChI=1S/C22H20N4/c23-22(24)26-25-21(20-9-5-2-6-10-20)16-13-17-11-14-19(15-12-17)18-7-3-1-4-8-18/h1-16H,(H4,23,24,26)/b16-13+,25-21-.
What are the key properties of 2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine has a molecular weight of 340.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine is sourced from PubChem (CID 52941533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).