3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde

C26H17NO — CID 59439660

IUPAC3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde
SMILESO=Cc1cc(-c2cccnc2)cc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C26H17NO/c28-17-18-12-22(21-8-5-11-27-16-21)15-23(13-18)26-24-9-3-1-6-19(24)14-20-7-2-4-10-25(20)26/h1-17H
InChIKeyOELPQGMWXDWDMD-UHFFFAOYSA-N
MW359.43 g/mol
LogP6.53
Rot. Bonds3

About 3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde

3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde (PubChem CID 59439660) has the molecular formula C26H17NO and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde.

Molecular Properties

Compound Name3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde
PubChem CID59439660
Molecular FormulaC26H17NO
Molecular Weight359.43 g/mol
Exact Mass359.13
IUPAC Name3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde
SMILESO=Cc1cc(-c2cccnc2)cc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C26H17NO/c28-17-18-12-22(21-8-5-11-27-16-21)15-23(13-18)26-24-9-3-1-6-19(24)14-20-7-2-4-10-25(20)26/h1-17H
InChIKeyOELPQGMWXDWDMD-UHFFFAOYSA-N
XLogP6.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde?
The IUPAC name of 3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde (CID 59439660) is 3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde.
What is the SMILES notation for 3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde?
The canonical SMILES for 3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde is O=Cc1cc(-c2cccnc2)cc(-c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of 3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde?
The InChIKey is OELPQGMWXDWDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO/c28-17-18-12-22(21-8-5-11-27-16-21)15-23(13-18)26-24-9-3-1-6-19(24)14-20-7-2-4-10-25(20)26/h1-17H.
What are the key properties of 3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde?
3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde has a molecular weight of 359.43 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yl-5-pyridin-3-ylbenzaldehyde is sourced from PubChem (CID 59439660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).