1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine

C23H20N2O2 — CID 158549590

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine
SMILESCOc1ccc(/C=N/c2ccc3c(c2)N=C(c2ccccc2)C3)cc1OC
InChIInChI=1S/C23H20N2O2/c1-26-22-11-8-16(12-23(22)27-2)15-24-19-10-9-18-13-20(25-21(18)14-19)17-6-4-3-5-7-17/h3-12,14-15H,13H2,1-2H3/b24-15+
InChIKeyLVAZEFFNICSHIA-BUVRLJJBSA-N
MW356.43 g/mol
LogP5.13
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine

1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine (PubChem CID 158549590) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine
PubChem CID158549590
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine
SMILESCOc1ccc(/C=N/c2ccc3c(c2)N=C(c2ccccc2)C3)cc1OC
InChIInChI=1S/C23H20N2O2/c1-26-22-11-8-16(12-23(22)27-2)15-24-19-10-9-18-13-20(25-21(18)14-19)17-6-4-3-5-7-17/h3-12,14-15H,13H2,1-2H3/b24-15+
InChIKeyLVAZEFFNICSHIA-BUVRLJJBSA-N
XLogP5.13
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine (CID 158549590) is 1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine is COc1ccc(/C=N/c2ccc3c(c2)N=C(c2ccccc2)C3)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine?
The InChIKey is LVAZEFFNICSHIA-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-26-22-11-8-16(12-23(22)27-2)15-24-19-10-9-18-13-20(25-21(18)14-19)17-6-4-3-5-7-17/h3-12,14-15H,13H2,1-2H3/b24-15+.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine?
1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine has a molecular weight of 356.43 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine is sourced from PubChem (CID 158549590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).