2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine

C35H21NOS — CID 170670772

IUPAC2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
SMILESc1ccc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)n5)cc4c3c2)cc1
InChIInChI=1S/C35H21NOS/c1-2-7-22(8-3-1)23-14-17-34-28(19-23)29-21-25(15-18-35(29)38-34)31-11-6-10-30(36-31)24-13-16-33-27(20-24)26-9-4-5-12-32(26)37-33/h1-21H
InChIKeyQJPOOAIBHUBRNF-UHFFFAOYSA-N
MW503.63 g/mol
LogP10.35
Rot. Bonds3

About 2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine

2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine (PubChem CID 170670772) has the molecular formula C35H21NOS and a molecular weight of 503.63 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
PubChem CID170670772
Molecular FormulaC35H21NOS
Molecular Weight503.63 g/mol
Exact Mass503.13
IUPAC Name2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
SMILESc1ccc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)n5)cc4c3c2)cc1
InChIInChI=1S/C35H21NOS/c1-2-7-22(8-3-1)23-14-17-34-28(19-23)29-21-25(15-18-35(29)38-34)31-11-6-10-30(36-31)24-13-16-33-27(20-24)26-9-4-5-12-32(26)37-33/h1-21H
InChIKeyQJPOOAIBHUBRNF-UHFFFAOYSA-N
XLogP10.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine?
The IUPAC name of 2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine (CID 170670772) is 2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine.
What is the SMILES notation for 2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine?
The canonical SMILES for 2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine is c1ccc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)n5)cc4c3c2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine?
The InChIKey is QJPOOAIBHUBRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21NOS/c1-2-7-22(8-3-1)23-14-17-34-28(19-23)29-21-25(15-18-35(29)38-34)31-11-6-10-30(36-31)24-13-16-33-27(20-24)26-9-4-5-12-32(26)37-33/h1-21H.
What are the key properties of 2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine?
2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine has a molecular weight of 503.63 g/mol, XLogP of 10.35, 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-6-(8-phenyldibenzothiophen-2-yl)pyridine is sourced from PubChem (CID 170670772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).