2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine

C35H41N5 — CID 11181542

IUPAC2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine
SMILESCC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2cccc(-n3[c-][n+](-c4c(C(C)C)cccc4C(C)C)cc3)n2)cc1
InChIInChI=1S/C35H41N5/c1-24(2)28-12-9-13-29(25(3)4)34(28)39-20-18-37(22-39)32-16-11-17-33(36-32)38-19-21-40(23-38)35-30(26(5)6)14-10-15-31(35)27(7)8/h9-21,24-27H,1-8H3
InChIKeyASISTZFTSCHDRI-UHFFFAOYSA-N
MW531.75 g/mol
LogP7.31
Rot. Bonds8

About 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine

2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine (PubChem CID 11181542) has the molecular formula C35H41N5 and a molecular weight of 531.75 g/mol. Its IUPAC name is 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine
PubChem CID11181542
Molecular FormulaC35H41N5
Molecular Weight531.75 g/mol
Exact Mass531.34
IUPAC Name2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine
SMILESCC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2cccc(-n3[c-][n+](-c4c(C(C)C)cccc4C(C)C)cc3)n2)cc1
InChIInChI=1S/C35H41N5/c1-24(2)28-12-9-13-29(25(3)4)34(28)39-20-18-37(22-39)32-16-11-17-33(36-32)38-19-21-40(23-38)35-30(26(5)6)14-10-15-31(35)27(7)8/h9-21,24-27H,1-8H3
InChIKeyASISTZFTSCHDRI-UHFFFAOYSA-N
XLogP7.31
TPSA30.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.75
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine?
The IUPAC name of 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine (CID 11181542) is 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine.
What is the SMILES notation for 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine?
The canonical SMILES for 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine is CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2cccc(-n3[c-][n+](-c4c(C(C)C)cccc4C(C)C)cc3)n2)cc1.
What is the InChIKey of 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine?
The InChIKey is ASISTZFTSCHDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5/c1-24(2)28-12-9-13-29(25(3)4)34(28)39-20-18-37(22-39)32-16-11-17-33(36-32)38-19-21-40(23-38)35-30(26(5)6)14-10-15-31(35)27(7)8/h9-21,24-27H,1-8H3.
What are the key properties of 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine?
2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine has a molecular weight of 531.75 g/mol, XLogP of 7.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-id-1-yl]-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]pyridine is sourced from PubChem (CID 11181542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).