phenanthrene-2,3-dicarbaldehyde

C16H10O2 — CID 10466547

IUPACphenanthrene-2,3-dicarbaldehyde
SMILESO=Cc1cc2ccc3ccccc3c2cc1C=O
InChIInChI=1S/C16H10O2/c17-9-13-7-12-6-5-11-3-1-2-4-15(11)16(12)8-14(13)10-18/h1-10H
InChIKeyMGVBWVLECVUGFX-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.62
Rot. Bonds2

About phenanthrene-2,3-dicarbaldehyde

phenanthrene-2,3-dicarbaldehyde (PubChem CID 10466547) has the molecular formula C16H10O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is phenanthrene-2,3-dicarbaldehyde.

Molecular Properties

Compound Namephenanthrene-2,3-dicarbaldehyde
PubChem CID10466547
Molecular FormulaC16H10O2
Molecular Weight234.25 g/mol
Exact Mass234.07
IUPAC Namephenanthrene-2,3-dicarbaldehyde
SMILESO=Cc1cc2ccc3ccccc3c2cc1C=O
InChIInChI=1S/C16H10O2/c17-9-13-7-12-6-5-11-3-1-2-4-15(11)16(12)8-14(13)10-18/h1-10H
InChIKeyMGVBWVLECVUGFX-UHFFFAOYSA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 phenanthrene-2,3-dicarbaldehyde?
The IUPAC name of phenanthrene-2,3-dicarbaldehyde (CID 10466547) is phenanthrene-2,3-dicarbaldehyde.
What is the SMILES notation for phenanthrene-2,3-dicarbaldehyde?
The canonical SMILES for phenanthrene-2,3-dicarbaldehyde is O=Cc1cc2ccc3ccccc3c2cc1C=O.
What is the InChIKey of phenanthrene-2,3-dicarbaldehyde?
The InChIKey is MGVBWVLECVUGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2/c17-9-13-7-12-6-5-11-3-1-2-4-15(11)16(12)8-14(13)10-18/h1-10H.
What are the key properties of phenanthrene-2,3-dicarbaldehyde?
phenanthrene-2,3-dicarbaldehyde has a molecular weight of 234.25 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene-2,3-dicarbaldehyde is sourced from PubChem (CID 10466547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).