N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine

C26H28FN — CID 135004092

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine
SMILESCc1cccc(-c2ccc(F)cc2)c1/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H28FN/c1-17(2)22-9-7-10-23(18(3)4)26(22)28-16-25-19(5)8-6-11-24(25)20-12-14-21(27)15-13-20/h6-18H,1-5H3/b28-16+
InChIKeyOODZRBFGCISACE-LQKURTRISA-N
MW373.52 g/mol
LogP7.80
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine

N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine (PubChem CID 135004092) has the molecular formula C26H28FN and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine
PubChem CID135004092
Molecular FormulaC26H28FN
Molecular Weight373.52 g/mol
Exact Mass373.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine
SMILESCc1cccc(-c2ccc(F)cc2)c1/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H28FN/c1-17(2)22-9-7-10-23(18(3)4)26(22)28-16-25-19(5)8-6-11-24(25)20-12-14-21(27)15-13-20/h6-18H,1-5H3/b28-16+
InChIKeyOODZRBFGCISACE-LQKURTRISA-N
XLogP7.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine (CID 135004092) is N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine is Cc1cccc(-c2ccc(F)cc2)c1/C=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine?
The InChIKey is OODZRBFGCISACE-LQKURTRISA-N. The full InChI is InChI=1S/C26H28FN/c1-17(2)22-9-7-10-23(18(3)4)26(22)28-16-25-19(5)8-6-11-24(25)20-12-14-21(27)15-13-20/h6-18H,1-5H3/b28-16+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine has a molecular weight of 373.52 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-[2-(4-fluorophenyl)-6-methylphenyl]methanimine is sourced from PubChem (CID 135004092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).