5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde

C40H27N3O — CID 59561612

IUPAC5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)cn1
InChIInChI=1S/C40H27N3O/c44-27-40-15-14-36(26-43-40)30-8-3-11-33(20-30)39-22-37(31-9-1-6-28(18-31)34-12-4-16-41-24-34)21-38(23-39)32-10-2-7-29(19-32)35-13-5-17-42-25-35/h1-27H
InChIKeyFTEYRJNOIZOMMC-UHFFFAOYSA-N
MW565.68 g/mol
LogP9.69
Rot. Bonds7

About 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde

5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde (PubChem CID 59561612) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde
PubChem CID59561612
Molecular FormulaC40H27N3O
Molecular Weight565.68 g/mol
Exact Mass565.22
IUPAC Name5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)cn1
InChIInChI=1S/C40H27N3O/c44-27-40-15-14-36(26-43-40)30-8-3-11-33(20-30)39-22-37(31-9-1-6-28(18-31)34-12-4-16-41-24-34)21-38(23-39)32-10-2-7-29(19-32)35-13-5-17-42-25-35/h1-27H
InChIKeyFTEYRJNOIZOMMC-UHFFFAOYSA-N
XLogP9.69
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 59.69
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 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde (CID 59561612) is 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde is O=Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)cn1.
What is the InChIKey of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde?
The InChIKey is FTEYRJNOIZOMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c44-27-40-15-14-36(26-43-40)30-8-3-11-33(20-30)39-22-37(31-9-1-6-28(18-31)34-12-4-16-41-24-34)21-38(23-39)32-10-2-7-29(19-32)35-13-5-17-42-25-35/h1-27H.
What are the key properties of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde?
5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde has a molecular weight of 565.68 g/mol, XLogP of 9.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 59561612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).