4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde

C26H17NO3 — CID 139034550

IUPAC4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2cc(-c3ccc(C=O)cc3)nc(-c3ccc(C=O)cc3)c2)cc1
InChIInChI=1S/C26H17NO3/c28-15-18-1-7-21(8-2-18)24-13-25(22-9-3-19(16-29)4-10-22)27-26(14-24)23-11-5-20(17-30)6-12-23/h1-17H
InChIKeyUCTJKKQHECFBMA-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.52
Rot. Bonds6

About 4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde

4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde (PubChem CID 139034550) has the molecular formula C26H17NO3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde
PubChem CID139034550
Molecular FormulaC26H17NO3
Molecular Weight391.43 g/mol
Exact Mass391.12
IUPAC Name4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2cc(-c3ccc(C=O)cc3)nc(-c3ccc(C=O)cc3)c2)cc1
InChIInChI=1S/C26H17NO3/c28-15-18-1-7-21(8-2-18)24-13-25(22-9-3-19(16-29)4-10-22)27-26(14-24)23-11-5-20(17-30)6-12-23/h1-17H
InChIKeyUCTJKKQHECFBMA-UHFFFAOYSA-N
XLogP5.52
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde?
The IUPAC name of 4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde (CID 139034550) is 4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde.
What is the SMILES notation for 4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde?
The canonical SMILES for 4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde is O=Cc1ccc(-c2cc(-c3ccc(C=O)cc3)nc(-c3ccc(C=O)cc3)c2)cc1.
What is the InChIKey of 4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde?
The InChIKey is UCTJKKQHECFBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO3/c28-15-18-1-7-21(8-2-18)24-13-25(22-9-3-19(16-29)4-10-22)27-26(14-24)23-11-5-20(17-30)6-12-23/h1-17H.
What are the key properties of 4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde?
4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde has a molecular weight of 391.43 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(4-formylphenyl)-4-pyridinyl]benzaldehyde is sourced from PubChem (CID 139034550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).