6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine

C32H27N3O — CID 118941671

IUPAC6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine
SMILESC=Cc1nc(OC2CC2)ccc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C32H27N3O/c1-2-29-28(20-21-31(34-29)36-27-18-19-27)30-22-35(23-33-30)32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h2-17,20-23,27H,1,18-19H2
InChIKeyGSHYKORBUVYFHS-UHFFFAOYSA-N
MW469.59 g/mol
LogP6.97
Rot. Bonds8

About 6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine

6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine (PubChem CID 118941671) has the molecular formula C32H27N3O and a molecular weight of 469.59 g/mol. Its IUPAC name is 6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine
PubChem CID118941671
Molecular FormulaC32H27N3O
Molecular Weight469.59 g/mol
Exact Mass469.22
IUPAC Name6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine
SMILESC=Cc1nc(OC2CC2)ccc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C32H27N3O/c1-2-29-28(20-21-31(34-29)36-27-18-19-27)30-22-35(23-33-30)32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h2-17,20-23,27H,1,18-19H2
InChIKeyGSHYKORBUVYFHS-UHFFFAOYSA-N
XLogP6.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-cyclohexyl-3-[6-cyclopropyl-3-(1-tritylimidazol-4-yl)-2-pyridinyl]prop-2-en-1-one
CID 118941666
2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde
CID 118917078
2-chloro-6-(1-tritylimidazol-4-yl)benzaldehyde
CID 118917134
3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde
CID 121284429
(E)-1-cyclohexyl-3-[2-methoxy-5-(1-tritylimidazol-4-yl)-4-pyridinyl]prop-2-en-1-one
CID 118917114
3-(1-tritylimidazol-4-yl)pyridine
CID 90733826
4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine
CID 118917067
4-[2-[2-(4-bromophenyl)ethoxy]phenyl]-1-tritylimidazole
CID 70938581
(E)-1-(4,4-dimethylcyclohexyl)-3-[2-fluoro-6-(1-tritylimidazol-4-yl)phenyl]prop-2-en-1-one
CID 118917088
(E)-3-[2-chloro-6-(1-tritylimidazol-4-yl)phenyl]-1-(oxan-4-yl)prop-2-en-1-one
CID 118941687
(6E)-2-amino-6-[[2-(1-tritylimidazol-4-yl)phenyl]methylidene]-7,8-dihydroquinolin-5-one
CID 129282826
(2E)-2-[[2-(1-tritylimidazol-4-yl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
CID 137406243

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine?
The IUPAC name of 6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine (CID 118941671) is 6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine.
What is the SMILES notation for 6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine?
The canonical SMILES for 6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine is C=Cc1nc(OC2CC2)ccc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine?
The InChIKey is GSHYKORBUVYFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O/c1-2-29-28(20-21-31(34-29)36-27-18-19-27)30-22-35(23-33-30)32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h2-17,20-23,27H,1,18-19H2.
What are the key properties of 6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine?
6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine has a molecular weight of 469.59 g/mol, XLogP of 6.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine is sourced from PubChem (CID 118941671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).