1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine

C46H82N2 — CID 139722365

IUPAC1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine
SMILESCCCCCCCCCCCCCCCCCCN1C=CC=CC1=C1C=CC=CN1CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H82N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-47-43-37-33-39-45(47)46-40-34-38-44-48(46)42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-40,43-44H,3-32,35-36,41-42H2,1-2H3
InChIKeyZZYNUPCDEHTWIP-UHFFFAOYSA-N
MW663.18 g/mol
LogP15.49
Rot. Bonds34

About 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine

1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine (PubChem CID 139722365) has the molecular formula C46H82N2 and a molecular weight of 663.18 g/mol. Its IUPAC name is 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine.

Molecular Properties

Compound Name1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine
PubChem CID139722365
Molecular FormulaC46H82N2
Molecular Weight663.18 g/mol
Exact Mass662.65
IUPAC Name1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine
SMILESCCCCCCCCCCCCCCCCCCN1C=CC=CC1=C1C=CC=CN1CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H82N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-47-43-37-33-39-45(47)46-40-34-38-44-48(46)42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-40,43-44H,3-32,35-36,41-42H2,1-2H3
InChIKeyZZYNUPCDEHTWIP-UHFFFAOYSA-N
XLogP15.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.18
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine 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

1-hexylazepine
CID 174889466
5,10,15-tris(1-octylpyridin-1-ium-2-yl)-20-(1-octyl-2-pyridinylidene)-21H-porphyrin
CID 11973678
1-dodecyl-3H-pyrrol-2-one
CID 23649268
1-decyl-4H-quinolizine
CID 140987271
1-[2-(1-methyl-2-pyridinylidene)-1-pyridinyl]pentan-1-one;dihydrobromide
CID 175051220
manganese(3+);(20E)-5,10,15-tris(1-pentylpyridin-1-ium-2-yl)-20-(1-pentyl-2-pyridinylidene)porphyrin-22-ide;pentachloride
CID 11251806
azane;1-dodecylazepine;nitroxyl
CID 174929490
CID 10746671
CID 10746671
1-hexyl-2-methyl-2H-pyridine
CID 141126590
1-hexadecylpyrrole-2,5-dione
CID 4526314
1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride
CID 172750361
1-octyl-2H-pyridine;hydrochloride
CID 69369892

Frequently Asked Questions

What is the IUPAC name of 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine?
The IUPAC name of 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine (CID 139722365) is 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine.
What is the SMILES notation for 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine?
The canonical SMILES for 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine is CCCCCCCCCCCCCCCCCCN1C=CC=CC1=C1C=CC=CN1CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine?
The InChIKey is ZZYNUPCDEHTWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H82N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-47-43-37-33-39-45(47)46-40-34-38-44-48(46)42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-40,43-44H,3-32,35-36,41-42H2,1-2H3.
What are the key properties of 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine?
1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine has a molecular weight of 663.18 g/mol, XLogP of 15.49, 34 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine is sourced from PubChem (CID 139722365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).