5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine

C54H96N2 — CID 151706629

IUPAC5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine
SMILESCCCCCCCCCC(CCCCCC)(CCCCCC)c1ccc(-c2ccc(C(CCCCCC)(CCCCCC)CCCCCCCCC)cn2)nc1
InChIInChI=1S/C54H96N2/c1-7-13-19-25-27-29-35-45-53(41-31-21-15-9-3,42-32-22-16-10-4)49-37-39-51(55-47-49)52-40-38-50(48-56-52)54(43-33-23-17-11-5,44-34-24-18-12-6)46-36-30-28-26-20-14-8-2/h37-40,47-48H,7-36,41-46H2,1-6H3
InChIKeyRFSJIRIZRGGASP-UHFFFAOYSA-N
MW773.38 g/mol
LogP18.78
Rot. Bonds39

About 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine

5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine (PubChem CID 151706629) has the molecular formula C54H96N2 and a molecular weight of 773.38 g/mol. Its IUPAC name is 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine
PubChem CID151706629
Molecular FormulaC54H96N2
Molecular Weight773.38 g/mol
Exact Mass772.76
IUPAC Name5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine
SMILESCCCCCCCCCC(CCCCCC)(CCCCCC)c1ccc(-c2ccc(C(CCCCCC)(CCCCCC)CCCCCCCCC)cn2)nc1
InChIInChI=1S/C54H96N2/c1-7-13-19-25-27-29-35-45-53(41-31-21-15-9-3,42-32-22-16-10-4)49-37-39-51(55-47-49)52-40-38-50(48-56-52)54(43-33-23-17-11-5,44-34-24-18-12-6)46-36-30-28-26-20-14-8-2/h37-40,47-48H,7-36,41-46H2,1-6H3
InChIKeyRFSJIRIZRGGASP-UHFFFAOYSA-N
XLogP18.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds39
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.38
LogP ≤ 518.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol
CID 150679563
5-butylhexadecan-5-ylbenzene
CID 173084700
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
4-[5-(3-aminopropyl)dodecan-5-yl]aniline
CID 56995609
1-[1-bromo-2-(bromomethyl)undecan-2-yl]-4-methylbenzene
CID 79445897
2-heptyl-2-(4-methylphenyl)propane-1,3-diol
CID 79450135
3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412973
1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene
CID 79453166
1-bromo-4-[1-chloro-2-(chloromethyl)nonan-2-yl]benzene
CID 79453845
1,3-bis(3-ethyldodecan-3-yl)benzene
CID 150177069
3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412964
1-[1-bromo-2-(bromomethyl)heptan-2-yl]-4-methylbenzene
CID 79455568

Frequently Asked Questions

What is the IUPAC name of 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine?
The IUPAC name of 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine (CID 151706629) is 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine.
What is the SMILES notation for 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine?
The canonical SMILES for 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine is CCCCCCCCCC(CCCCCC)(CCCCCC)c1ccc(-c2ccc(C(CCCCCC)(CCCCCC)CCCCCCCCC)cn2)nc1.
What is the InChIKey of 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine?
The InChIKey is RFSJIRIZRGGASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H96N2/c1-7-13-19-25-27-29-35-45-53(41-31-21-15-9-3,42-32-22-16-10-4)49-37-39-51(55-47-49)52-40-38-50(48-56-52)54(43-33-23-17-11-5,44-34-24-18-12-6)46-36-30-28-26-20-14-8-2/h37-40,47-48H,7-36,41-46H2,1-6H3.
What are the key properties of 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine?
5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine has a molecular weight of 773.38 g/mol, XLogP of 18.78, 39 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine is sourced from PubChem (CID 151706629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).