6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline

C28H21NO — CID 59573295

IUPAC6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
SMILESCc1ccc(N2c3ccccc3Cc3c2oc2ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C28H21NO/c1-19-15-16-26(23(17-19)20-9-3-2-4-10-20)29-25-13-7-5-11-21(25)18-24-22-12-6-8-14-27(22)30-28(24)29/h2-17H,18H2,1H3
InChIKeyKVJNNACSIJSSEO-UHFFFAOYSA-N
MW387.48 g/mol
LogP7.78
Rot. Bonds2

About 6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline

6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline (PubChem CID 59573295) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is 6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
PubChem CID59573295
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
SMILESCc1ccc(N2c3ccccc3Cc3c2oc2ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C28H21NO/c1-19-15-16-26(23(17-19)20-9-3-2-4-10-20)29-25-13-7-5-11-21(25)18-24-22-12-6-8-14-27(22)30-28(24)29/h2-17H,18H2,1H3
InChIKeyKVJNNACSIJSSEO-UHFFFAOYSA-N
XLogP7.78
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline (CID 59573295) is 6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline is Cc1ccc(N2c3ccccc3Cc3c2oc2ccccc32)c(-c2ccccc2)c1.
What is the InChIKey of 6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
The InChIKey is KVJNNACSIJSSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO/c1-19-15-16-26(23(17-19)20-9-3-2-4-10-20)29-25-13-7-5-11-21(25)18-24-22-12-6-8-14-27(22)30-28(24)29/h2-17H,18H2,1H3.
What are the key properties of 6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline has a molecular weight of 387.48 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 59573295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).