3-(1-tritylimidazol-4-yl)pyridine

C27H21N3 — CID 90733826

IUPAC3-(1-tritylimidazol-4-yl)pyridine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(-c3cccnc3)c2)cc1
InChIInChI=1S/C27H21N3/c1-4-12-23(13-5-1)27(24-14-6-2-7-15-24,25-16-8-3-9-17-25)30-20-26(29-21-30)22-11-10-18-28-19-22/h1-21H
InChIKeyZRZHRBBQOMXRGA-UHFFFAOYSA-N
MW387.49 g/mol
LogP5.79
Rot. Bonds5

About 3-(1-tritylimidazol-4-yl)pyridine

3-(1-tritylimidazol-4-yl)pyridine (PubChem CID 90733826) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-(1-tritylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name3-(1-tritylimidazol-4-yl)pyridine
PubChem CID90733826
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name3-(1-tritylimidazol-4-yl)pyridine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(-c3cccnc3)c2)cc1
InChIInChI=1S/C27H21N3/c1-4-12-23(13-5-1)27(24-14-6-2-7-15-24,25-16-8-3-9-17-25)30-20-26(29-21-30)22-11-10-18-28-19-22/h1-21H
InChIKeyZRZHRBBQOMXRGA-UHFFFAOYSA-N
XLogP5.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde
CID 121284429
4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid
CID 23511434
3-[1-(2-chloroethyl)imidazol-4-yl]pyridine
CID 22715654
1-tritylimidazole-4-carboxylic acid
CID 10570117
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 67136465
2,4-diphenyl-6-pyridin-3-ylpyridine
CID 3477432
4-iodo-1-tritylimidazole;palladium
CID 174711966
3-(1-butylimidazol-4-yl)pyridine
CID 58668046
3-(3,5-diphenylphenyl)pyridine
CID 141411458
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
5-bromo-N-[4-(1-tritylimidazol-4-yl)phenyl]pentanamide
CID 162788032

Frequently Asked Questions

What is the IUPAC name of 3-(1-tritylimidazol-4-yl)pyridine?
The IUPAC name of 3-(1-tritylimidazol-4-yl)pyridine (CID 90733826) is 3-(1-tritylimidazol-4-yl)pyridine.
What is the SMILES notation for 3-(1-tritylimidazol-4-yl)pyridine?
The canonical SMILES for 3-(1-tritylimidazol-4-yl)pyridine is c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(-c3cccnc3)c2)cc1.
What is the InChIKey of 3-(1-tritylimidazol-4-yl)pyridine?
The InChIKey is ZRZHRBBQOMXRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-4-12-23(13-5-1)27(24-14-6-2-7-15-24,25-16-8-3-9-17-25)30-20-26(29-21-30)22-11-10-18-28-19-22/h1-21H.
What are the key properties of 3-(1-tritylimidazol-4-yl)pyridine?
3-(1-tritylimidazol-4-yl)pyridine has a molecular weight of 387.49 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tritylimidazol-4-yl)pyridine is sourced from PubChem (CID 90733826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).