5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine

C42H60N2S2 — CID 102232329

IUPAC5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCCCCCCC)cn4)s3)s2)nc1
InChIInChI=1S/C42H60N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-27-37(43-33-35)39-29-31-41(45-39)42-32-30-40(46-42)38-28-26-36(34-44-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-34H,3-24H2,1-2H3
InChIKeyQKZWLHJKIXYGQS-UHFFFAOYSA-N
MW657.09 g/mol
LogP14.53
Rot. Bonds25

About 5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine

5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine (PubChem CID 102232329) has the molecular formula C42H60N2S2 and a molecular weight of 657.09 g/mol. Its IUPAC name is 5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine
PubChem CID102232329
Molecular FormulaC42H60N2S2
Molecular Weight657.09 g/mol
Exact Mass656.42
IUPAC Name5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCCCCCCC)cn4)s3)s2)nc1
InChIInChI=1S/C42H60N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-27-37(43-33-35)39-29-31-41(45-39)42-32-30-40(46-42)38-28-26-36(34-44-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-34H,3-24H2,1-2H3
InChIKeyQKZWLHJKIXYGQS-UHFFFAOYSA-N
XLogP14.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.09
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
(5-Pyrid-3-ylthien-2-YL)methylamine
CID 11206290
Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine
CID 11321674
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

Frequently Asked Questions

What is the IUPAC name of 5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine?
The IUPAC name of 5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine (CID 102232329) is 5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine.
What is the SMILES notation for 5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine?
The canonical SMILES for 5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine is CCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCCCCCCC)cn4)s3)s2)nc1.
What is the InChIKey of 5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine?
The InChIKey is QKZWLHJKIXYGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H60N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-27-37(43-33-35)39-29-31-41(45-39)42-32-30-40(46-42)38-28-26-36(34-44-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-34H,3-24H2,1-2H3.
What are the key properties of 5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine?
5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine has a molecular weight of 657.09 g/mol, XLogP of 14.53, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyl-2-[5-[5-(5-dodecyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine is sourced from PubChem (CID 102232329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).