5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine

C48H84N2 — CID 14048482

IUPAC5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
SMILESCCCCCCCCCCCCCCCCCCCc1ccc(-c2ccc(CCCCCCCCCCCCCCCCCCC)cn2)nc1
InChIInChI=1S/C48H84N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-39-41-47(49-43-45)48-42-40-46(44-50-48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-44H,3-38H2,1-2H3
InChIKeyGGQRCOSIMNGWFF-UHFFFAOYSA-N
MW689.21 g/mol
LogP16.53
Rot. Bonds37

About 5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine

5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine (PubChem CID 14048482) has the molecular formula C48H84N2 and a molecular weight of 689.21 g/mol. Its IUPAC name is 5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
PubChem CID14048482
Molecular FormulaC48H84N2
Molecular Weight689.21 g/mol
Exact Mass688.66
IUPAC Name5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
SMILESCCCCCCCCCCCCCCCCCCCc1ccc(-c2ccc(CCCCCCCCCCCCCCCCCCC)cn2)nc1
InChIInChI=1S/C48H84N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-39-41-47(49-43-45)48-42-40-46(44-50-48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-44H,3-38H2,1-2H3
InChIKeyGGQRCOSIMNGWFF-UHFFFAOYSA-N
XLogP16.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds37
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.21
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2,5-bis[5-(4-hexoxybutyl)-2-pyridinyl]pyrazine
CID 22412878
3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412973
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
5-heptyl-2-[4-(5-nonyl-2-pyridinyl)phenyl]pyrimidine
CID 139621543
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597
5-decyl-2-[4-(5-heptyl-2-pyridinyl)phenyl]pyrimidine
CID 139621535
5-heptyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621561

Frequently Asked Questions

What is the IUPAC name of 5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine?
The IUPAC name of 5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine (CID 14048482) is 5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine.
What is the SMILES notation for 5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine?
The canonical SMILES for 5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine is CCCCCCCCCCCCCCCCCCCc1ccc(-c2ccc(CCCCCCCCCCCCCCCCCCC)cn2)nc1.
What is the InChIKey of 5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine?
The InChIKey is GGQRCOSIMNGWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H84N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-39-41-47(49-43-45)48-42-40-46(44-50-48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-44H,3-38H2,1-2H3.
What are the key properties of 5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine?
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine has a molecular weight of 689.21 g/mol, XLogP of 16.53, 37 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine is sourced from PubChem (CID 14048482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).