N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine

C22H17N — CID 145299137

IUPACN-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine
SMILESC=N/C(=C\C)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C22H17N/c1-3-22(23-2)15-12-13-20-18-10-5-4-8-16(18)17-9-6-7-11-19(17)21(20)14-15/h3-14H,2H2,1H3/b22-3-
InChIKeyVIZAFRCAGRFYQK-XQFZAKLLSA-N
MW295.39 g/mol
LogP6.21
Rot. Bonds2

About N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine

N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine (PubChem CID 145299137) has the molecular formula C22H17N and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine
PubChem CID145299137
Molecular FormulaC22H17N
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC NameN-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine
SMILESC=N/C(=C\C)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C22H17N/c1-3-22(23-2)15-12-13-20-18-10-5-4-8-16(18)17-9-6-7-11-19(17)21(20)14-15/h3-14H,2H2,1H3/b22-3-
InChIKeyVIZAFRCAGRFYQK-XQFZAKLLSA-N
XLogP6.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine?
The IUPAC name of N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine (CID 145299137) is N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine is C=N/C(=C\C)c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine?
The InChIKey is VIZAFRCAGRFYQK-XQFZAKLLSA-N. The full InChI is InChI=1S/C22H17N/c1-3-22(23-2)15-12-13-20-18-10-5-4-8-16(18)17-9-6-7-11-19(17)21(20)14-15/h3-14H,2H2,1H3/b22-3-.
What are the key properties of N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine?
N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine has a molecular weight of 295.39 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine is sourced from PubChem (CID 145299137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).