N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine

C26H20N2 — CID 11152612

IUPACN-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine
SMILESC(=N/c1ccccc1)\c1ccc(-c2ccc(/C=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2/c1-3-7-25(8-4-1)27-19-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-28-26-9-5-2-6-10-26/h1-20H/b27-19+,28-20+
InChIKeyXOVYDTOPYAXMQU-MKYUKRCKSA-N
MW360.46 g/mol
LogP6.85
Rot. Bonds5

About N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine

N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine (PubChem CID 11152612) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine.

Molecular Properties

Compound NameN-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine
PubChem CID11152612
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC NameN-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine
SMILESC(=N/c1ccccc1)\c1ccc(-c2ccc(/C=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2/c1-3-7-25(8-4-1)27-19-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-28-26-9-5-2-6-10-26/h1-20H/b27-19+,28-20+
InChIKeyXOVYDTOPYAXMQU-MKYUKRCKSA-N
XLogP6.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine?
The IUPAC name of N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine (CID 11152612) is N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine.
What is the SMILES notation for N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine?
The canonical SMILES for N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine is C(=N/c1ccccc1)\c1ccc(-c2ccc(/C=N/c3ccccc3)cc2)cc1.
What is the InChIKey of N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine?
The InChIKey is XOVYDTOPYAXMQU-MKYUKRCKSA-N. The full InChI is InChI=1S/C26H20N2/c1-3-7-25(8-4-1)27-19-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-28-26-9-5-2-6-10-26/h1-20H/b27-19+,28-20+.
What are the key properties of N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine?
N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine has a molecular weight of 360.46 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine is sourced from PubChem (CID 11152612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).