5-phenyl-6H-phenanthridine-6-carbaldehyde

C20H15NO — CID 174725973

IUPAC5-phenyl-6H-phenanthridine-6-carbaldehyde
SMILESO=CC1c2ccccc2-c2ccccc2N1c1ccccc1
InChIInChI=1S/C20H15NO/c22-14-20-18-12-5-4-10-16(18)17-11-6-7-13-19(17)21(20)15-8-2-1-3-9-15/h1-14,20H
InChIKeyQITXUNKBFGZXKL-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.75
Rot. Bonds2

About 5-phenyl-6H-phenanthridine-6-carbaldehyde

5-phenyl-6H-phenanthridine-6-carbaldehyde (PubChem CID 174725973) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-phenyl-6H-phenanthridine-6-carbaldehyde.

Molecular Properties

Compound Name5-phenyl-6H-phenanthridine-6-carbaldehyde
PubChem CID174725973
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name5-phenyl-6H-phenanthridine-6-carbaldehyde
SMILESO=CC1c2ccccc2-c2ccccc2N1c1ccccc1
InChIInChI=1S/C20H15NO/c22-14-20-18-12-5-4-10-16(18)17-11-6-7-13-19(17)21(20)15-8-2-1-3-9-15/h1-14,20H
InChIKeyQITXUNKBFGZXKL-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenyl-6H-phenanthridine-6-carbaldehyde?
The IUPAC name of 5-phenyl-6H-phenanthridine-6-carbaldehyde (CID 174725973) is 5-phenyl-6H-phenanthridine-6-carbaldehyde.
What is the SMILES notation for 5-phenyl-6H-phenanthridine-6-carbaldehyde?
The canonical SMILES for 5-phenyl-6H-phenanthridine-6-carbaldehyde is O=CC1c2ccccc2-c2ccccc2N1c1ccccc1.
What is the InChIKey of 5-phenyl-6H-phenanthridine-6-carbaldehyde?
The InChIKey is QITXUNKBFGZXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c22-14-20-18-12-5-4-10-16(18)17-11-6-7-13-19(17)21(20)15-8-2-1-3-9-15/h1-14,20H.
What are the key properties of 5-phenyl-6H-phenanthridine-6-carbaldehyde?
5-phenyl-6H-phenanthridine-6-carbaldehyde has a molecular weight of 285.35 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6H-phenanthridine-6-carbaldehyde is sourced from PubChem (CID 174725973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).