1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine

C26H25N — CID 23015948

IUPAC1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine
SMILESCC1=Cc2ccccc2C1c1ccccc1/C=N/c1c(C)cc(C)cc1C
InChIInChI=1S/C26H25N/c1-17-13-19(3)26(20(4)14-17)27-16-22-10-6-8-12-24(22)25-18(2)15-21-9-5-7-11-23(21)25/h5-16,25H,1-4H3/b27-16+
InChIKeyIRKYQHNPWNOJFO-JVWAILMASA-N
MW351.49 g/mol
LogP6.91
Rot. Bonds3

About 1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine

1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine (PubChem CID 23015948) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine
PubChem CID23015948
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Name1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine
SMILESCC1=Cc2ccccc2C1c1ccccc1/C=N/c1c(C)cc(C)cc1C
InChIInChI=1S/C26H25N/c1-17-13-19(3)26(20(4)14-17)27-16-22-10-6-8-12-24(22)25-18(2)15-21-9-5-7-11-23(21)25/h5-16,25H,1-4H3/b27-16+
InChIKeyIRKYQHNPWNOJFO-JVWAILMASA-N
XLogP6.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.91
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 1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of 1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine (CID 23015948) is 1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for 1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for 1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine is CC1=Cc2ccccc2C1c1ccccc1/C=N/c1c(C)cc(C)cc1C.
What is the InChIKey of 1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is IRKYQHNPWNOJFO-JVWAILMASA-N. The full InChI is InChI=1S/C26H25N/c1-17-13-19(3)26(20(4)14-17)27-16-22-10-6-8-12-24(22)25-18(2)15-21-9-5-7-11-23(21)25/h5-16,25H,1-4H3/b27-16+.
What are the key properties of 1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine?
1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 351.49 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 23015948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).