2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine

C44H28N2OS — CID 118477925

IUPAC2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine
SMILESC1=C(c2ccc(-c3cccc4c3sc3ccccc34)nc2)CCc2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)nc3)cc21
InChIInChI=1S/C44H28N2OS/c1-3-13-41-33(7-1)35-9-5-11-37(43(35)47-41)39-21-19-30(25-45-39)28-17-15-27-16-18-29(24-32(27)23-28)31-20-22-40(46-26-31)38-12-6-10-36-34-8-2-4-14-42(34)48-44(36)38/h1-15,17,19-26H,16,18H2
InChIKeyARBWUAACCZDJBQ-UHFFFAOYSA-N
MW632.79 g/mol
LogP12.23
Rot. Bonds4

About 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine

2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine (PubChem CID 118477925) has the molecular formula C44H28N2OS and a molecular weight of 632.79 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine
PubChem CID118477925
Molecular FormulaC44H28N2OS
Molecular Weight632.79 g/mol
Exact Mass632.19
IUPAC Name2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine
SMILESC1=C(c2ccc(-c3cccc4c3sc3ccccc34)nc2)CCc2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)nc3)cc21
InChIInChI=1S/C44H28N2OS/c1-3-13-41-33(7-1)35-9-5-11-37(43(35)47-41)39-21-19-30(25-45-39)28-17-15-27-16-18-29(24-32(27)23-28)31-20-22-40(46-26-31)38-12-6-10-36-34-8-2-4-14-42(34)48-44(36)38/h1-15,17,19-26H,16,18H2
InChIKeyARBWUAACCZDJBQ-UHFFFAOYSA-N
XLogP12.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.79
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine (CID 118477925) is 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine is C1=C(c2ccc(-c3cccc4c3sc3ccccc34)nc2)CCc2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)nc3)cc21.
What is the InChIKey of 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine?
The InChIKey is ARBWUAACCZDJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2OS/c1-3-13-41-33(7-1)35-9-5-11-37(43(35)47-41)39-21-19-30(25-45-39)28-17-15-27-16-18-29(24-32(27)23-28)31-20-22-40(46-26-31)38-12-6-10-36-34-8-2-4-14-42(34)48-44(36)38/h1-15,17,19-26H,16,18H2.
What are the key properties of 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine?
2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine has a molecular weight of 632.79 g/mol, XLogP of 12.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine is sourced from PubChem (CID 118477925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).