4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine

C34H56N2 — CID 11283283

IUPAC4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
SMILESCCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCC)ccn2)c1
InChIInChI=1S/C34H56N2/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-35-33(29-31)34-30-32(26-28-36-34)24-22-20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3
InChIKeyBTVXQWYLNMVGCR-UHFFFAOYSA-N
MW492.84 g/mol
LogP11.07
Rot. Bonds23

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

4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine (PubChem CID 11283283) has the molecular formula C34H56N2 and a molecular weight of 492.84 g/mol. Its IUPAC name is 4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
PubChem CID11283283
Molecular FormulaC34H56N2
Molecular Weight492.84 g/mol
Exact Mass492.44
IUPAC Name4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
SMILESCCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCC)ccn2)c1
InChIInChI=1S/C34H56N2/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-35-33(29-31)34-30-32(26-28-36-34)24-22-20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3
InChIKeyBTVXQWYLNMVGCR-UHFFFAOYSA-N
XLogP11.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.84
LogP ≤ 511.07
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-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
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-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine?
The IUPAC name of 4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine (CID 11283283) is 4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine?
The canonical SMILES for 4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine is CCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCC)ccn2)c1.
What is the InChIKey of 4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine?
The InChIKey is BTVXQWYLNMVGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N2/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-35-33(29-31)34-30-32(26-28-36-34)24-22-20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3.
What are the key properties of 4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine?
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine has a molecular weight of 492.84 g/mol, XLogP of 11.07, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine is sourced from PubChem (CID 11283283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).