(4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate

C26H18N2O2 — CID 10916146

IUPAC(4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate
SMILESN#Cc1ccc(O/C(=N/c2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C26H18N2O2/c27-19-20-11-15-25(16-12-20)30-26(28-22-7-3-1-4-8-22)21-13-17-24(18-14-21)29-23-9-5-2-6-10-23/h1-18H/b28-26+
InChIKeyWTQYTBXORLDLJP-BYCLXTJYSA-N
MW390.44 g/mol
LogP6.51
Rot. Bonds5

About (4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate

(4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate (PubChem CID 10916146) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is (4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate.

Molecular Properties

Compound Name(4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate
PubChem CID10916146
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC Name(4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate
SMILESN#Cc1ccc(O/C(=N/c2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C26H18N2O2/c27-19-20-11-15-25(16-12-20)30-26(28-22-7-3-1-4-8-22)21-13-17-24(18-14-21)29-23-9-5-2-6-10-23/h1-18H/b28-26+
InChIKeyWTQYTBXORLDLJP-BYCLXTJYSA-N
XLogP6.51
TPSA54.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-cyanophenyl) N-[3-(trifluoromethyl)phenyl]benzenecarboximidate
CID 11057634
4-[hydroxy(phenoxy)phosphinothioyl]oxybenzonitrile
CID 18783591
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
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4-(4-benzylphenoxy)benzonitrile
CID 134587761
phenyl N-(4-cyanophenyl)-3-phenylsulfanylprop-2-enimidate
CID 91231799
ethyl N-[4-[4-[[ethoxy(phenyl)methylidene]amino]phenoxy]phenyl]benzenecarboximidate
CID 122577792
5-phenoxybenzene-1,3-dicarbonitrile
CID 76539682
4-phenoxybenzoyl cyanide
CID 20510497
4-[(E)-1,2-diphenylethenoxy]benzonitrile
CID 102486834
4-(4-isocyanatophenoxy)benzonitrile
CID 88589638
4-(4-propanoylphenoxy)benzonitrile
CID 103604232
4-(4-ethanimidoylphenoxy)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate?
The IUPAC name of (4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate (CID 10916146) is (4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate.
What is the SMILES notation for (4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate?
The canonical SMILES for (4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate is N#Cc1ccc(O/C(=N/c2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate?
The InChIKey is WTQYTBXORLDLJP-BYCLXTJYSA-N. The full InChI is InChI=1S/C26H18N2O2/c27-19-20-11-15-25(16-12-20)30-26(28-22-7-3-1-4-8-22)21-13-17-24(18-14-21)29-23-9-5-2-6-10-23/h1-18H/b28-26+.
What are the key properties of (4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate?
(4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate has a molecular weight of 390.44 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 4-phenoxy-N-phenylbenzenecarboximidate is sourced from PubChem (CID 10916146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).