4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde

C35H25N3O — CID 139086779

IUPAC4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde
SMILESO=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C35H25N3O/c39-25-26-14-18-31(19-15-26)38(30-11-5-2-6-12-30)32-20-16-27(17-21-32)29-23-34(28-9-3-1-4-10-28)37-35(24-29)33-13-7-8-22-36-33/h1-25H
InChIKeyUDCLLQWDSCZHKF-UHFFFAOYSA-N
MW503.61 g/mol
LogP8.76
Rot. Bonds7

About 4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde

4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde (PubChem CID 139086779) has the molecular formula C35H25N3O and a molecular weight of 503.61 g/mol. Its IUPAC name is 4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde.

Molecular Properties

Compound Name4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde
PubChem CID139086779
Molecular FormulaC35H25N3O
Molecular Weight503.61 g/mol
Exact Mass503.20
IUPAC Name4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde
SMILESO=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C35H25N3O/c39-25-26-14-18-31(19-15-26)38(30-11-5-2-6-12-30)32-20-16-27(17-21-32)29-23-34(28-9-3-1-4-10-28)37-35(24-29)33-13-7-8-22-36-33/h1-25H
InChIKeyUDCLLQWDSCZHKF-UHFFFAOYSA-N
XLogP8.76
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-Phenylphenyl)-[4-(2-pyridylmethyl)piperazino]methanone
CID 1148103
1-(4-{4-[(Pyridin-3-yl)methyl]piperazin-1-yl}phenyl)ethan-1-one
CID 757138
4-Phenyl-quinoline-3-carbaldehyde
CID 1448354
2,2'-Bipyridine-4,4'-dicarboxaldehyde
CID 4171663
(2,2'-Bipyridine)-5,5'-dicarbaldehyde
CID 15547968
N-(6-(4-benzamidophenyl)pyridin-3-yl)benzamide (28)
CID 86766305
1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethanone
CID 10639706
N-(2-(dibutylamino)ethyl)-4-pentyl-N-((5-(pyridin-3-yl)pyridin-2-yl)methyl)benzamide
CID 44420424
N-(2-(dibutylamino)ethyl)-4-pentyl-N-((5-(pyridin-4-yl)pyridin-2-yl)methyl)benzamide
CID 44420434
4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzaldehyde
CID 73345797
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide
CID 118723887
2-Methyl-1-phenyl-4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butan-1-one
CID 238484

Frequently Asked Questions

What is the IUPAC name of 4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde?
The IUPAC name of 4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde (CID 139086779) is 4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde.
What is the SMILES notation for 4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde?
The canonical SMILES for 4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde is O=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccn4)c3)cc2)cc1.
What is the InChIKey of 4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde?
The InChIKey is UDCLLQWDSCZHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O/c39-25-26-14-18-31(19-15-26)38(30-11-5-2-6-12-30)32-20-16-27(17-21-32)29-23-34(28-9-3-1-4-10-28)37-35(24-29)33-13-7-8-22-36-33/h1-25H.
What are the key properties of 4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde?
4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde has a molecular weight of 503.61 g/mol, XLogP of 8.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]anilino)benzaldehyde is sourced from PubChem (CID 139086779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).