3,4-di(nonadecyl)-2-pyridin-2-ylpyridine

C48H84N2 — CID 164513177

IUPAC3,4-di(nonadecyl)-2-pyridin-2-ylpyridine
SMILESCCCCCCCCCCCCCCCCCCCc1ccnc(-c2ccccn2)c1CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H84N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-45-42-44-50-48(47-41-37-38-43-49-47)46(45)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-44H,3-36,39-40H2,1-2H3
InChIKeyFHOYFAUMLNHCHW-UHFFFAOYSA-N
MW689.21 g/mol
LogP16.53
Rot. Bonds37

About 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine

3,4-di(nonadecyl)-2-pyridin-2-ylpyridine (PubChem CID 164513177) has the molecular formula C48H84N2 and a molecular weight of 689.21 g/mol. Its IUPAC name is 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3,4-di(nonadecyl)-2-pyridin-2-ylpyridine
PubChem CID164513177
Molecular FormulaC48H84N2
Molecular Weight689.21 g/mol
Exact Mass688.66
IUPAC Name3,4-di(nonadecyl)-2-pyridin-2-ylpyridine
SMILESCCCCCCCCCCCCCCCCCCCc1ccnc(-c2ccccn2)c1CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H84N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-45-42-44-50-48(47-41-37-38-43-49-47)46(45)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-44H,3-36,39-40H2,1-2H3
InChIKeyFHOYFAUMLNHCHW-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'}

Analyze 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
2-(2-octylphenyl)pyridine
CID 15643012
3-ethyl-2-methyl-4-octylpyridine
CID 175330346
2-(5-tridecylthiophen-2-yl)pyridine
CID 24787944
4-butyl-3,6-dipyridin-2-ylpyridazine
CID 6418950
2-(2-butylphenyl)pyridine
CID 11977286
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2,3-tri(icosyl)benzene
CID 90987509
4,5-dipropyl-3,6-dipyridin-2-ylpyridazine
CID 58250586
3-heptyl-2-methylpyridine
CID 134369519
2-(3-butyl-2-methylphenyl)pyridine
CID 161168281

Frequently Asked Questions

What is the IUPAC name of 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine?
The IUPAC name of 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine (CID 164513177) is 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine.
What is the SMILES notation for 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine?
The canonical SMILES for 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine is CCCCCCCCCCCCCCCCCCCc1ccnc(-c2ccccn2)c1CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine?
The InChIKey is FHOYFAUMLNHCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H84N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-45-42-44-50-48(47-41-37-38-43-49-47)46(45)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-44H,3-36,39-40H2,1-2H3.
What are the key properties of 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine?
3,4-di(nonadecyl)-2-pyridin-2-ylpyridine 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 3,4-di(nonadecyl)-2-pyridin-2-ylpyridine is sourced from PubChem (CID 164513177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).