4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine

C48H84N2 — CID 12503697

IUPAC4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
SMILESCCCCCCCCCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCCCCCCCCC)ccn2)c1
InChIInChI=1S/C48H84N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-39-41-49-47(43-45)48-44-46(40-42-50-48)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
InChIKeyFPDATYCHYWXWJW-UHFFFAOYSA-N
MW689.21 g/mol
LogP16.53
Rot. Bonds37

About 4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine

4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine (PubChem CID 12503697) has the molecular formula C48H84N2 and a molecular weight of 689.21 g/mol. Its IUPAC name is 4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
PubChem CID12503697
Molecular FormulaC48H84N2
Molecular Weight689.21 g/mol
Exact Mass688.66
IUPAC Name4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
SMILESCCCCCCCCCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCCCCCCCCC)ccn2)c1
InChIInChI=1S/C48H84N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-39-41-49-47(43-45)48-44-46(40-42-50-48)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
InChIKeyFPDATYCHYWXWJW-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

4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
2-chloro-4-hexadecylpyridine
CID 170566187
2-chloro-4-pentadecylpyridine
CID 174517606
6-[2-[4-(6-sulfanylhexyl)-2-pyridinyl]-4-pyridinyl]hexane-1-thiol
CID 122371372
(4-octyl-2-pyridinyl)methanol
CID 156538031
4-docosylpyridine-2-carboxylic acid
CID 174759337
triethoxy-[9-[2-[4-[9-(triethoxy-λ4-sulfanyl)nonyl]-2-pyridinyl]-4-pyridinyl]nonyl]-λ4-sulfane
CID 142565663

Frequently Asked Questions

What is the IUPAC name of 4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine?
The IUPAC name of 4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine (CID 12503697) is 4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine?
The canonical SMILES for 4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine is CCCCCCCCCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCCCCCCCCC)ccn2)c1.
What is the InChIKey of 4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine?
The InChIKey is FPDATYCHYWXWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H84N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-39-41-49-47(43-45)48-44-46(40-42-50-48)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 4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine?
4-nonadecyl-2-(4-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 4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine is sourced from PubChem (CID 12503697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).