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

C26H18Cl2N2 — CID 634695

IUPAC1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESClc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H18Cl2N2/c27-23-9-1-19(2-10-23)17-29-25-13-5-21(6-14-25)22-7-15-26(16-8-22)30-18-20-3-11-24(28)12-4-20/h1-18H/b29-17+,30-18+
InChIKeyISALVHOEWQZBNC-YAGSLNJISA-N
MW429.35 g/mol
LogP8.16
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine (PubChem CID 634695) has the molecular formula C26H18Cl2N2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine
PubChem CID634695
Molecular FormulaC26H18Cl2N2
Molecular Weight429.35 g/mol
Exact Mass428.08
IUPAC Name1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESClc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H18Cl2N2/c27-23-9-1-19(2-10-23)17-29-25-13-5-21(6-14-25)22-7-15-26(16-8-22)30-18-20-3-11-24(28)12-4-20/h1-18H/b29-17+,30-18+
InChIKeyISALVHOEWQZBNC-YAGSLNJISA-N
XLogP8.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 58.16
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-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine (CID 634695) is 1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine is Clc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The InChIKey is ISALVHOEWQZBNC-YAGSLNJISA-N. The full InChI is InChI=1S/C26H18Cl2N2/c27-23-9-1-19(2-10-23)17-29-25-13-5-21(6-14-25)22-7-15-26(16-8-22)30-18-20-3-11-24(28)12-4-20/h1-18H/b29-17+,30-18+.
What are the key properties of 1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine has a molecular weight of 429.35 g/mol, XLogP of 8.16, 5 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-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine is sourced from PubChem (CID 634695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).