N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine

C24H19NO — CID 11024203

IUPACN-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine
SMILESC#CCOc1ccccc1/C=N/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO/c1-2-17-26-24-16-10-9-15-22(24)19-25-23(21-13-7-4-8-14-21)18-20-11-5-3-6-12-20/h1,3-16,18-19H,17H2/b23-18-,25-19+
InChIKeyYNAKYCSXGIAKEO-VNLVBBAWSA-N
MW337.42 g/mol
LogP5.32
Rot. Bonds6

About N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine

N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine (PubChem CID 11024203) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine
PubChem CID11024203
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC NameN-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine
SMILESC#CCOc1ccccc1/C=N/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO/c1-2-17-26-24-16-10-9-15-22(24)19-25-23(21-13-7-4-8-14-21)18-20-11-5-3-6-12-20/h1,3-16,18-19H,17H2/b23-18-,25-19+
InChIKeyYNAKYCSXGIAKEO-VNLVBBAWSA-N
XLogP5.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine?
The IUPAC name of N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine (CID 11024203) is N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine.
What is the SMILES notation for N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine?
The canonical SMILES for N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine is C#CCOc1ccccc1/C=N/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine?
The InChIKey is YNAKYCSXGIAKEO-VNLVBBAWSA-N. The full InChI is InChI=1S/C24H19NO/c1-2-17-26-24-16-10-9-15-22(24)19-25-23(21-13-7-4-8-14-21)18-20-11-5-3-6-12-20/h1,3-16,18-19H,17H2/b23-18-,25-19+.
What are the key properties of N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine?
N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine has a molecular weight of 337.42 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,2-diphenylethenyl]-1-(2-prop-2-ynoxyphenyl)methanimine is sourced from PubChem (CID 11024203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).