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

C32H40N2S2 — CID 102232325

IUPAC5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCC)cn4)s3)s2)nc1
InChIInChI=1S/C32H40N2S2/c1-3-5-7-9-11-13-25-15-17-27(33-23-25)29-19-21-31(35-29)32-22-20-30(36-32)28-18-16-26(24-34-28)14-12-10-8-6-4-2/h15-24H,3-14H2,1-2H3
InChIKeyQMAXNFCAHVBLQU-UHFFFAOYSA-N
MW516.82 g/mol
LogP10.63
Rot. Bonds15

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

5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine (PubChem CID 102232325) has the molecular formula C32H40N2S2 and a molecular weight of 516.82 g/mol. Its IUPAC name is 5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine
PubChem CID102232325
Molecular FormulaC32H40N2S2
Molecular Weight516.82 g/mol
Exact Mass516.26
IUPAC Name5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCC)cn4)s3)s2)nc1
InChIInChI=1S/C32H40N2S2/c1-3-5-7-9-11-13-25-15-17-27(33-23-25)29-19-21-31(35-29)32-22-20-30(36-32)28-18-16-26(24-34-28)14-12-10-8-6-4-2/h15-24H,3-14H2,1-2H3
InChIKeyQMAXNFCAHVBLQU-UHFFFAOYSA-N
XLogP10.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.82
LogP ≤ 510.63
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-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine?
The IUPAC name of 5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine (CID 102232325) is 5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine.
What is the SMILES notation for 5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine?
The canonical SMILES for 5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine is CCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCC)cn4)s3)s2)nc1.
What is the InChIKey of 5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine?
The InChIKey is QMAXNFCAHVBLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2S2/c1-3-5-7-9-11-13-25-15-17-27(33-23-25)29-19-21-31(35-29)32-22-20-30(36-32)28-18-16-26(24-34-28)14-12-10-8-6-4-2/h15-24H,3-14H2,1-2H3.
What are the key properties of 5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine?
5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine has a molecular weight of 516.82 g/mol, XLogP of 10.63, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-[5-[5-(5-heptyl-2-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine is sourced from PubChem (CID 102232325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).