4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde

C35H24N4O2 — CID 102490183

IUPAC4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde
SMILESO=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C35H24N4O2/c40-23-25-7-13-29(14-8-25)39(30-15-9-26(24-41)10-16-30)31-17-11-27(12-18-31)28-21-34(32-5-1-3-19-36-32)38-35(22-28)33-6-2-4-20-37-33/h1-24H
InChIKeyUREDXVPVZSRHSR-UHFFFAOYSA-N
MW532.60 g/mol
LogP7.97
Rot. Bonds8

About 4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde

4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde (PubChem CID 102490183) has the molecular formula C35H24N4O2 and a molecular weight of 532.60 g/mol. Its IUPAC name is 4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde.

Molecular Properties

Compound Name4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde
PubChem CID102490183
Molecular FormulaC35H24N4O2
Molecular Weight532.60 g/mol
Exact Mass532.19
IUPAC Name4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde
SMILESO=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C35H24N4O2/c40-23-25-7-13-29(14-8-25)39(30-15-9-26(24-41)10-16-30)31-17-11-27(12-18-31)28-21-34(32-5-1-3-19-36-32)38-35(22-28)33-6-2-4-20-37-33/h1-24H
InChIKeyUREDXVPVZSRHSR-UHFFFAOYSA-N
XLogP7.97
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Benzylpiperazine-1-carbonyl)-2-(pyridin-4-yl)quinoline
CID 4261993
(4-Phenylphenyl)-[4-(2-pyridylmethyl)piperazino]methanone
CID 1148103
2,2'-Bipyridine-4,4'-dicarboxaldehyde
CID 4171663
(2,2'-Bipyridine)-5,5'-dicarbaldehyde
CID 15547968
[8-Methyl-2-(pyridin-4-yl)quinolin-4-yl](4-phenylpiperazin-1-yl)methanone
CID 1257121
N-ethyl-N-methyl-4-[(R)-pyridin-2-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 57393725
4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde
CID 73345797
2-[3-[4-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione iodide
CID 156020812
5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)-N-(4-(pyridine-3-yl)phenyl)picolinamide
CID 56649998
2,2'-Bipyridine-4-carboxaldehyde
CID 10171298
[4-(2-Methylbenzyl)piperazin-1-yl][2-(pyridin-4-yl)quinolin-4-yl]methanone
CID 2965723
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 16331789

Frequently Asked Questions

What is the IUPAC name of 4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde?
The IUPAC name of 4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde (CID 102490183) is 4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde.
What is the SMILES notation for 4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde?
The canonical SMILES for 4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde is O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.
What is the InChIKey of 4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde?
The InChIKey is UREDXVPVZSRHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4O2/c40-23-25-7-13-29(14-8-25)39(30-15-9-26(24-41)10-16-30)31-17-11-27(12-18-31)28-21-34(32-5-1-3-19-36-32)38-35(22-28)33-6-2-4-20-37-33/h1-24H.
What are the key properties of 4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde?
4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde has a molecular weight of 532.60 g/mol, XLogP of 7.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-formylanilino)benzaldehyde is sourced from PubChem (CID 102490183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).