4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde

C32H23N3O — CID 87469922

IUPAC4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(ncn3C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C32H23N3O/c36-22-24-16-18-25(19-17-24)29-20-21-30-31(34-29)33-23-35(30)32(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-23H
InChIKeyJEWJYVYPFLNZHC-UHFFFAOYSA-N
MW465.56 g/mol
LogP6.75
Rot. Bonds6

About 4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde

4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde (PubChem CID 87469922) has the molecular formula C32H23N3O and a molecular weight of 465.56 g/mol. Its IUPAC name is 4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde
PubChem CID87469922
Molecular FormulaC32H23N3O
Molecular Weight465.56 g/mol
Exact Mass465.18
IUPAC Name4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(ncn3C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C32H23N3O/c36-22-24-16-18-25(19-17-24)29-20-21-30-31(34-29)33-23-35(30)32(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-23H
InChIKeyJEWJYVYPFLNZHC-UHFFFAOYSA-N
XLogP6.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde?
The IUPAC name of 4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde (CID 87469922) is 4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde.
What is the SMILES notation for 4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde?
The canonical SMILES for 4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde is O=Cc1ccc(-c2ccc3c(ncn3C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde?
The InChIKey is JEWJYVYPFLNZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3O/c36-22-24-16-18-25(19-17-24)29-20-21-30-31(34-29)33-23-35(30)32(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-23H.
What are the key properties of 4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde?
4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde has a molecular weight of 465.56 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tritylimidazo[4,5-b]pyridin-5-yl)benzaldehyde is sourced from PubChem (CID 87469922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).