3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium

C36H50N3+ — CID 135082147

IUPAC3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium
SMILESC(=C\Cc1cccnc1)\CCCCCCCC[n+]1cccc(CCCCCC/C=C\CCc2ccncc2)c1
InChIInChI=1S/C36H50N3/c1(2-7-11-15-21-35-23-18-27-38-32-35)5-9-13-17-30-39-31-19-24-36(33-39)22-16-12-8-4-3-6-10-14-20-34-25-28-37-29-26-34/h6,10-11,15,18-19,23-29,31-33H,1-5,7-9,12-14,16-17,20-22,30H2/q+1/b10-6-,15-11-
InChIKeyZBCBPUJKMYIGBL-IPBHLIGWSA-N
MW524.82 g/mol
LogP8.98
Rot. Bonds21

About 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium

3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium (PubChem CID 135082147) has the molecular formula C36H50N3+ and a molecular weight of 524.82 g/mol. Its IUPAC name is 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium.

Molecular Properties

Compound Name3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium
PubChem CID135082147
Molecular FormulaC36H50N3+
Molecular Weight524.82 g/mol
Exact Mass524.40
IUPAC Name3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium
SMILESC(=C\Cc1cccnc1)\CCCCCCCC[n+]1cccc(CCCCCC/C=C\CCc2ccncc2)c1
InChIInChI=1S/C36H50N3/c1(2-7-11-15-21-35-23-18-27-38-32-35)5-9-13-17-30-39-31-19-24-36(33-39)22-16-12-8-4-3-6-10-14-20-34-25-28-37-29-26-34/h6,10-11,15,18-19,23-29,31-33H,1-5,7-9,12-14,16-17,20-22,30H2/q+1/b10-6-,15-11-
InChIKeyZBCBPUJKMYIGBL-IPBHLIGWSA-N
XLogP8.98
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.82
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium 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

3-(14-bromotetradecyl)-1-(11-pyridin-3-ylundecyl)pyridin-1-ium
CID 11679346
3-[(Z)-nonadec-10-enyl]-1-[(Z)-octadec-9-enyl]pyridin-1-ium chloride
CID 11273629
3,4-dimethyl-1-(13-pyridin-3-yltridecyl)pyridin-1-ium
CID 24781102
(E)-12-pyridin-3-yldodec-3-en-1-ol
CID 11043541
N-(14-pyridin-3-yltetradec-11-enylidene)hydroxylamine
CID 85169050
3,4-dimethyl-1-(13-pyridin-3-yltridecyl)pyridin-1-ium bromide
CID 24781101
3-[(E)-7-iodohept-6-enyl]pyridine
CID 11833526
3-nonadecyl-1-tridecylpyridin-1-ium
CID 69393724
3-octyl-1-undecylpyridin-1-ium
CID 69390098
1-dodecyl-3-heptadecylpyridin-1-ium
CID 69396835
1-decyl-3-tetradecylpyridin-1-ium
CID 69387489
3-decyl-1-nonylpyridin-1-ium
CID 69391901

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium?
The IUPAC name of 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium (CID 135082147) is 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium.
What is the SMILES notation for 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium?
The canonical SMILES for 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium is C(=C\Cc1cccnc1)\CCCCCCCC[n+]1cccc(CCCCCC/C=C\CCc2ccncc2)c1.
What is the InChIKey of 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium?
The InChIKey is ZBCBPUJKMYIGBL-IPBHLIGWSA-N. The full InChI is InChI=1S/C36H50N3/c1(2-7-11-15-21-35-23-18-27-38-32-35)5-9-13-17-30-39-31-19-24-36(33-39)22-16-12-8-4-3-6-10-14-20-34-25-28-37-29-26-34/h6,10-11,15,18-19,23-29,31-33H,1-5,7-9,12-14,16-17,20-22,30H2/q+1/b10-6-,15-11-.
What are the key properties of 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium?
3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium has a molecular weight of 524.82 g/mol, XLogP of 8.98, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium is sourced from PubChem (CID 135082147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).