1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine

C27H20F2N2 — CID 4028302

IUPAC1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine
SMILESFc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H20F2N2/c28-24-9-1-22(2-10-24)18-30-26-13-5-20(6-14-26)17-21-7-15-27(16-8-21)31-19-23-3-11-25(29)12-4-23/h1-16,18-19H,17H2/b30-18+,31-19+
InChIKeyIWJIMNVJGAIOQS-GFTXTJKWSA-N
MW410.47 g/mol
LogP7.06
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine (PubChem CID 4028302) has the molecular formula C27H20F2N2 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine
PubChem CID4028302
Molecular FormulaC27H20F2N2
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine
SMILESFc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H20F2N2/c28-24-9-1-22(2-10-24)18-30-26-13-5-20(6-14-26)17-21-7-15-27(16-8-21)31-19-23-3-11-25(29)12-4-23/h1-16,18-19H,17H2/b30-18+,31-19+
InChIKeyIWJIMNVJGAIOQS-GFTXTJKWSA-N
XLogP7.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
CID 3085874
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998
4-[(4-fluorophenyl)methylideneamino]benzenethiol
CID 15543881
N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine
CID 139780617
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
CID 145351672
N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide
CID 932029
[[4-[(4-fluorophenyl)iminomethyl]phenyl]-methylboranyl] acetate
CID 91438669
N,1-bis(4-methylphenyl)methanimine
CID 525721

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine (CID 4028302) is 1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine is Fc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(F)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine?
The InChIKey is IWJIMNVJGAIOQS-GFTXTJKWSA-N. The full InChI is InChI=1S/C27H20F2N2/c28-24-9-1-22(2-10-24)18-30-26-13-5-20(6-14-26)17-21-7-15-27(16-8-21)31-19-23-3-11-25(29)12-4-23/h1-16,18-19H,17H2/b30-18+,31-19+.
What are the key properties of 1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine?
1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine has a molecular weight of 410.47 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine is sourced from PubChem (CID 4028302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).