2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline

C43H25NO2 — CID 166965270

IUPAC2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4nc(-c5ccc6oc7ccccc7c6c5)ccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C43H25NO2/c1-2-11-26(12-3-1)40-31-14-4-5-15-32(31)41(42-33-16-7-9-20-38(33)46-43(40)42)30-17-10-18-36-28(30)22-23-35(44-36)27-21-24-39-34(25-27)29-13-6-8-19-37(29)45-39/h1-25H
InChIKeyMFWTWGSJFUEJNX-UHFFFAOYSA-N
MW587.68 g/mol
LogP12.19
Rot. Bonds3

About 2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline

2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline (PubChem CID 166965270) has the molecular formula C43H25NO2 and a molecular weight of 587.68 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline
PubChem CID166965270
Molecular FormulaC43H25NO2
Molecular Weight587.68 g/mol
Exact Mass587.19
IUPAC Name2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4nc(-c5ccc6oc7ccccc7c6c5)ccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C43H25NO2/c1-2-11-26(12-3-1)40-31-14-4-5-15-32(31)41(42-33-16-7-9-20-38(33)46-43(40)42)30-17-10-18-36-28(30)22-23-35(44-36)27-21-24-39-34(25-27)29-13-6-8-19-37(29)45-39/h1-25H
InChIKeyMFWTWGSJFUEJNX-UHFFFAOYSA-N
XLogP12.19
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline?
The IUPAC name of 2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline (CID 166965270) is 2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline.
What is the SMILES notation for 2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline?
The canonical SMILES for 2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline is c1ccc(-c2c3ccccc3c(-c3cccc4nc(-c5ccc6oc7ccccc7c6c5)ccc34)c3c2oc2ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline?
The InChIKey is MFWTWGSJFUEJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO2/c1-2-11-26(12-3-1)40-31-14-4-5-15-32(31)41(42-33-16-7-9-20-38(33)46-43(40)42)30-17-10-18-36-28(30)22-23-35(44-36)27-21-24-39-34(25-27)29-13-6-8-19-37(29)45-39/h1-25H.
What are the key properties of 2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline?
2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline has a molecular weight of 587.68 g/mol, XLogP of 12.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-5-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)quinoline is sourced from PubChem (CID 166965270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).