phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone

C36H26N4O — CID 67136465

IUPACphenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESO=C(c1ccccc1)c1cn2cc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2n1
InChIInChI=1S/C36H26N4O/c41-35(27-13-5-1-6-14-27)33-24-39-23-28(21-22-34(39)38-33)32-25-40(26-37-32)36(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-26H
InChIKeyFWNWFMWBUWGRAJ-UHFFFAOYSA-N
MW530.63 g/mol
LogP7.27
Rot. Bonds7

About phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone

phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 67136465) has the molecular formula C36H26N4O and a molecular weight of 530.63 g/mol. Its IUPAC name is phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID67136465
Molecular FormulaC36H26N4O
Molecular Weight530.63 g/mol
Exact Mass530.21
IUPAC Namephenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESO=C(c1ccccc1)c1cn2cc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2n1
InChIInChI=1S/C36H26N4O/c41-35(27-13-5-1-6-14-27)33-24-39-23-28(21-22-34(39)38-33)32-25-40(26-37-32)36(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-26H
InChIKeyFWNWFMWBUWGRAJ-UHFFFAOYSA-N
XLogP7.27
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 67136465) is phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone is O=C(c1ccccc1)c1cn2cc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2n1.
What is the InChIKey of phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is FWNWFMWBUWGRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O/c41-35(27-13-5-1-6-14-27)33-24-39-23-28(21-22-34(39)38-33)32-25-40(26-37-32)36(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-26H.
What are the key properties of phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone?
phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 530.63 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[6-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 67136465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).