1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

C28H22Cl2N2 — CID 11305634

IUPAC1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
SMILESClc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H22Cl2N2/c29-25-11-3-23(4-12-25)19-31-27-15-7-21(8-16-27)1-2-22-9-17-28(18-10-22)32-20-24-5-13-26(30)14-6-24/h3-20H,1-2H2/b31-19+,32-20+
InChIKeyAJHAWLCKFWDRND-GKTLAHRSSA-N
MW457.40 g/mol
LogP8.28
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine (PubChem CID 11305634) has the molecular formula C28H22Cl2N2 and a molecular weight of 457.40 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
PubChem CID11305634
Molecular FormulaC28H22Cl2N2
Molecular Weight457.40 g/mol
Exact Mass456.12
IUPAC Name1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
SMILESClc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H22Cl2N2/c29-25-11-3-23(4-12-25)19-31-27-15-7-21(8-16-27)1-2-22-9-17-28(18-10-22)32-20-24-5-13-26(30)14-6-24/h3-20H,1-2H2/b31-19+,32-20+
InChIKeyAJHAWLCKFWDRND-GKTLAHRSSA-N
XLogP8.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.40
LogP ≤ 58.28
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 1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine (CID 11305634) is 1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine is Clc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The InChIKey is AJHAWLCKFWDRND-GKTLAHRSSA-N. The full InChI is InChI=1S/C28H22Cl2N2/c29-25-11-3-23(4-12-25)19-31-27-15-7-21(8-16-27)1-2-22-9-17-28(18-10-22)32-20-24-5-13-26(30)14-6-24/h3-20H,1-2H2/b31-19+,32-20+.
What are the key properties of 1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine has a molecular weight of 457.40 g/mol, XLogP of 8.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine is sourced from PubChem (CID 11305634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).