4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine

C30H36N2S2 — CID 58489257

IUPAC4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine
SMILESCCCCCCc1ccc(-c2ccnc(-c3cc(-c4ccc(CCCCCC)s4)ccn3)c2)s1
InChIInChI=1S/C30H36N2S2/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3
InChIKeyDCFNCZSDXIPGOQ-UHFFFAOYSA-N
MW488.77 g/mol
LogP9.85
Rot. Bonds13

About 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine

4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine (PubChem CID 58489257) has the molecular formula C30H36N2S2 and a molecular weight of 488.77 g/mol. Its IUPAC name is 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine
PubChem CID58489257
Molecular FormulaC30H36N2S2
Molecular Weight488.77 g/mol
Exact Mass488.23
IUPAC Name4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine
SMILESCCCCCCc1ccc(-c2ccnc(-c3cc(-c4ccc(CCCCCC)s4)ccn3)c2)s1
InChIInChI=1S/C30H36N2S2/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3
InChIKeyDCFNCZSDXIPGOQ-UHFFFAOYSA-N
XLogP9.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.77
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-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

Related Compounds

dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
2-[5-(2-Pyridyl)-2-thienyl]pyridine
CID 2801704
4,4',4'',4'''-(Thiene-2,3,4,5-tetrayl)tetrapyridine
CID 253078
Dimethyl({[5-(pyridin-3-yl)thiophen-2-yl]methyl})amine
CID 11310529

Frequently Asked Questions

What is the IUPAC name of 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine?
The IUPAC name of 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine (CID 58489257) is 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine is CCCCCCc1ccc(-c2ccnc(-c3cc(-c4ccc(CCCCCC)s4)ccn3)c2)s1.
What is the InChIKey of 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine?
The InChIKey is DCFNCZSDXIPGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2S2/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3.
What are the key properties of 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine?
4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine has a molecular weight of 488.77 g/mol, XLogP of 9.85, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine is sourced from PubChem (CID 58489257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).