[[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate

C26H25NO2 — CID 5021428

IUPAC[[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate
SMILESO=C(ON=C(c1ccccc1)c1ccc(-c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C26H25NO2/c28-26(24-14-8-3-9-15-24)29-27-25(22-12-6-2-7-13-22)23-18-16-21(17-19-23)20-10-4-1-5-11-20/h1-2,4-7,10-13,16-19,24H,3,8-9,14-15H2
InChIKeyRDIVGVILVABHFA-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.23
Rot. Bonds5

About [[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate

[[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate (PubChem CID 5021428) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is [[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate.

Molecular Properties

Compound Name[[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate
PubChem CID5021428
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name[[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate
SMILESO=C(ON=C(c1ccccc1)c1ccc(-c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C26H25NO2/c28-26(24-14-8-3-9-15-24)29-27-25(22-12-6-2-7-13-22)23-18-16-21(17-19-23)20-10-4-1-5-11-20/h1-2,4-7,10-13,16-19,24H,3,8-9,14-15H2
InChIKeyRDIVGVILVABHFA-UHFFFAOYSA-N
XLogP6.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[1-[4-[4-[2-(cyclohexanecarbonyloxyimino)propanoyl]phenyl]phenyl]-1-oxopropan-2-ylidene]amino] cyclohexanecarboxylate
CID 142736811
(4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate
CID 20724345
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate
CID 19292035
(benzhydrylideneamino) hydrogen carbonate
CID 91323284
(3,5-diphenylphenyl) cyclopentanecarboxylate
CID 44572266
[(E)-[4-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)butan-2-ylidene]amino] cyclohexanecarboxylate
CID 118902042
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
hydron;phenyl cycloheptanecarboxylate
CID 174768034
[(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate
CID 3815100
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360

Frequently Asked Questions

What is the IUPAC name of [[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate?
The IUPAC name of [[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate (CID 5021428) is [[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate.
What is the SMILES notation for [[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate?
The canonical SMILES for [[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate is O=C(ON=C(c1ccccc1)c1ccc(-c2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of [[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate?
The InChIKey is RDIVGVILVABHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c28-26(24-14-8-3-9-15-24)29-27-25(22-12-6-2-7-13-22)23-18-16-21(17-19-23)20-10-4-1-5-11-20/h1-2,4-7,10-13,16-19,24H,3,8-9,14-15H2.
What are the key properties of [[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate?
[[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate has a molecular weight of 383.49 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate is sourced from PubChem (CID 5021428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).