5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine

C27H19NOS2 — CID 59646220

IUPAC5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine
SMILESCc1ccc2c(c1)oc1cc(-c3ccc(-c4ccc(-c5ccc(C)s5)nc4)s3)ccc12
InChIInChI=1S/C27H19NOS2/c1-16-3-7-20-21-8-5-18(14-24(21)29-23(20)13-16)25-11-12-26(31-25)19-6-9-22(28-15-19)27-10-4-17(2)30-27/h3-15H,1-2H3
InChIKeyAEHFQXKLQQQVFV-UHFFFAOYSA-N
MW437.59 g/mol
LogP8.72
Rot. Bonds3

About 5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine

5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine (PubChem CID 59646220) has the molecular formula C27H19NOS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine
PubChem CID59646220
Molecular FormulaC27H19NOS2
Molecular Weight437.59 g/mol
Exact Mass437.09
IUPAC Name5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine
SMILESCc1ccc2c(c1)oc1cc(-c3ccc(-c4ccc(-c5ccc(C)s5)nc4)s3)ccc12
InChIInChI=1S/C27H19NOS2/c1-16-3-7-20-21-8-5-18(14-24(21)29-23(20)13-16)25-11-12-26(31-25)19-6-9-22(28-15-19)27-10-4-17(2)30-27/h3-15H,1-2H3
InChIKeyAEHFQXKLQQQVFV-UHFFFAOYSA-N
XLogP8.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine?
The IUPAC name of 5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine (CID 59646220) is 5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine?
The canonical SMILES for 5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine is Cc1ccc2c(c1)oc1cc(-c3ccc(-c4ccc(-c5ccc(C)s5)nc4)s3)ccc12.
What is the InChIKey of 5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine?
The InChIKey is AEHFQXKLQQQVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NOS2/c1-16-3-7-20-21-8-5-18(14-24(21)29-23(20)13-16)25-11-12-26(31-25)19-6-9-22(28-15-19)27-10-4-17(2)30-27/h3-15H,1-2H3.
What are the key properties of 5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine?
5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine has a molecular weight of 437.59 g/mol, XLogP of 8.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(7-methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 59646220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).