2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline

C26H25NO — CID 59572312

IUPAC2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
SMILESCc1cc(C)c(N2c3ccc(C)cc3Cc3c2oc2ccc(C)cc32)c(C)c1
InChIInChI=1S/C26H25NO/c1-15-6-8-23-20(12-15)14-22-21-13-16(2)7-9-24(21)28-26(22)27(23)25-18(4)10-17(3)11-19(25)5/h6-13H,14H2,1-5H3
InChIKeyLMLZDQHEKRWLNR-UHFFFAOYSA-N
MW367.49 g/mol
LogP7.35
Rot. Bonds1

About 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline

2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline (PubChem CID 59572312) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
PubChem CID59572312
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
SMILESCc1cc(C)c(N2c3ccc(C)cc3Cc3c2oc2ccc(C)cc32)c(C)c1
InChIInChI=1S/C26H25NO/c1-15-6-8-23-20(12-15)14-22-21-13-16(2)7-9-24(21)28-26(22)27(23)25-18(4)10-17(3)11-19(25)5/h6-13H,14H2,1-5H3
InChIKeyLMLZDQHEKRWLNR-UHFFFAOYSA-N
XLogP7.35
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline (CID 59572312) is 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline is Cc1cc(C)c(N2c3ccc(C)cc3Cc3c2oc2ccc(C)cc32)c(C)c1.
What is the InChIKey of 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
The InChIKey is LMLZDQHEKRWLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-15-6-8-23-20(12-15)14-22-21-13-16(2)7-9-24(21)28-26(22)27(23)25-18(4)10-17(3)11-19(25)5/h6-13H,14H2,1-5H3.
What are the key properties of 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline has a molecular weight of 367.49 g/mol, XLogP of 7.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 59572312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).