4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine

C36H24N2S2 — CID 89492348

IUPAC4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine
SMILESCC#Cc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(C#CC)s6)cc5)ccn4)c3)cc2)s1
InChIInChI=1S/C36H24N2S2/c1-3-5-31-15-17-35(39-31)27-11-7-25(8-12-27)29-19-21-37-33(23-29)34-24-30(20-22-38-34)26-9-13-28(14-10-26)36-18-16-32(40-36)6-4-2/h7-24H,1-2H3
InChIKeyPQTWVAVUGKCGDF-UHFFFAOYSA-N
MW548.74 g/mol
LogP9.68
Rot. Bonds5

About 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine

4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine (PubChem CID 89492348) has the molecular formula C36H24N2S2 and a molecular weight of 548.74 g/mol. Its IUPAC name is 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine
PubChem CID89492348
Molecular FormulaC36H24N2S2
Molecular Weight548.74 g/mol
Exact Mass548.14
IUPAC Name4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine
SMILESCC#Cc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(C#CC)s6)cc5)ccn4)c3)cc2)s1
InChIInChI=1S/C36H24N2S2/c1-3-5-31-15-17-35(39-31)27-11-7-25(8-12-27)29-19-21-37-33(23-29)34-24-30(20-22-38-34)26-9-13-28(14-10-26)36-18-16-32(40-36)6-4-2/h7-24H,1-2H3
InChIKeyPQTWVAVUGKCGDF-UHFFFAOYSA-N
XLogP9.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.74
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]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 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine (CID 89492348) is 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine is CC#Cc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(C#CC)s6)cc5)ccn4)c3)cc2)s1.
What is the InChIKey of 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine?
The InChIKey is PQTWVAVUGKCGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S2/c1-3-5-31-15-17-35(39-31)27-11-7-25(8-12-27)29-19-21-37-33(23-29)34-24-30(20-22-38-34)26-9-13-28(14-10-26)36-18-16-32(40-36)6-4-2/h7-24H,1-2H3.
What are the key properties of 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine?
4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine has a molecular weight of 548.74 g/mol, XLogP of 9.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 89492348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).