2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine

C44H26N2OS — CID 118477935

IUPAC2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc5cc(-c6ccc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12
InChIInChI=1S/C44H26N2OS/c1-3-13-41-33(7-1)35-9-5-11-37(43(35)47-41)39-21-19-31(25-45-39)29-17-15-28-24-30(18-16-27(28)23-29)32-20-22-40(46-26-32)38-12-6-10-36-34-8-2-4-14-42(34)48-44(36)38/h1-26H
InChIKeyFHNGWAKLRVKPJC-UHFFFAOYSA-N
MW630.77 g/mol
LogP12.57
Rot. Bonds4

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

2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine (PubChem CID 118477935) has the molecular formula C44H26N2OS and a molecular weight of 630.77 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine
PubChem CID118477935
Molecular FormulaC44H26N2OS
Molecular Weight630.77 g/mol
Exact Mass630.18
IUPAC Name2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc5cc(-c6ccc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12
InChIInChI=1S/C44H26N2OS/c1-3-13-41-33(7-1)35-9-5-11-37(43(35)47-41)39-21-19-31(25-45-39)29-17-15-28-24-30(18-16-27(28)23-29)32-20-22-40(46-26-32)38-12-6-10-36-34-8-2-4-14-42(34)48-44(36)38/h1-26H
InChIKeyFHNGWAKLRVKPJC-UHFFFAOYSA-N
XLogP12.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.77
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-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-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine (CID 118477935) is 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine is c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5cc(-c6ccc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine?
The InChIKey is FHNGWAKLRVKPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2OS/c1-3-13-41-33(7-1)35-9-5-11-37(43(35)47-41)39-21-19-31(25-45-39)29-17-15-28-24-30(18-16-27(28)23-29)32-20-22-40(46-26-32)38-12-6-10-36-34-8-2-4-14-42(34)48-44(36)38/h1-26H.
What are the key properties of 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine?
2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine has a molecular weight of 630.77 g/mol, XLogP of 12.57, 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-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine is sourced from PubChem (CID 118477935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).