1,10-phenanthroline-2,9-dicarbaldehyde

C14H8N2O2 — CID 602123

IUPAC1,10-phenanthroline-2,9-dicarbaldehyde
SMILESO=Cc1ccc2ccc3ccc(C=O)nc3c2n1
InChIInChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H
InChIKeyRHXOPVFYZBGQGA-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.41
Rot. Bonds2

About 1,10-phenanthroline-2,9-dicarbaldehyde

1,10-phenanthroline-2,9-dicarbaldehyde (PubChem CID 602123) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1,10-phenanthroline-2,9-dicarbaldehyde.

Molecular Properties

Compound Name1,10-phenanthroline-2,9-dicarbaldehyde
PubChem CID602123
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name1,10-phenanthroline-2,9-dicarbaldehyde
SMILESO=Cc1ccc2ccc3ccc(C=O)nc3c2n1
InChIInChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H
InChIKeyRHXOPVFYZBGQGA-UHFFFAOYSA-N
XLogP2.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline-2,9-dicarbaldehyde?
The IUPAC name of 1,10-phenanthroline-2,9-dicarbaldehyde (CID 602123) is 1,10-phenanthroline-2,9-dicarbaldehyde.
What is the SMILES notation for 1,10-phenanthroline-2,9-dicarbaldehyde?
The canonical SMILES for 1,10-phenanthroline-2,9-dicarbaldehyde is O=Cc1ccc2ccc3ccc(C=O)nc3c2n1.
What is the InChIKey of 1,10-phenanthroline-2,9-dicarbaldehyde?
The InChIKey is RHXOPVFYZBGQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H.
What are the key properties of 1,10-phenanthroline-2,9-dicarbaldehyde?
1,10-phenanthroline-2,9-dicarbaldehyde has a molecular weight of 236.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-2,9-dicarbaldehyde is sourced from PubChem (CID 602123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).