2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine

C35H21NOS — CID 59133549

IUPAC2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C35H21NOS/c1-2-10-22(11-3-1)23-20-30(28-16-8-14-26-24-12-4-6-18-32(24)37-34(26)28)36-31(21-23)29-17-9-15-27-25-13-5-7-19-33(25)38-35(27)29/h1-21H
InChIKeyWPZVCWZGVYVROC-UHFFFAOYSA-N
MW503.63 g/mol
LogP10.35
Rot. Bonds3

About 2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine

2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine (PubChem CID 59133549) has the molecular formula C35H21NOS and a molecular weight of 503.63 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine
PubChem CID59133549
Molecular FormulaC35H21NOS
Molecular Weight503.63 g/mol
Exact Mass503.13
IUPAC Name2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C35H21NOS/c1-2-10-22(11-3-1)23-20-30(28-16-8-14-26-24-12-4-6-18-32(24)37-34(26)28)36-31(21-23)29-17-9-15-27-25-13-5-7-19-33(25)38-35(27)29/h1-21H
InChIKeyWPZVCWZGVYVROC-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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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine?
The IUPAC name of 2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine (CID 59133549) is 2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine is c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine?
The InChIKey is WPZVCWZGVYVROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21NOS/c1-2-10-22(11-3-1)23-20-30(28-16-8-14-26-24-12-4-6-18-32(24)37-34(26)28)36-31(21-23)29-17-9-15-27-25-13-5-7-19-33(25)38-35(27)29/h1-21H.
What are the key properties of 2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine?
2-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine 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-4-yl-6-dibenzothiophen-4-yl-4-phenylpyridine is sourced from PubChem (CID 59133549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).