8-phenoxyphenanthridine-6-carbaldehyde

C20H13NO2 — CID 178074620

IUPAC8-phenoxyphenanthridine-6-carbaldehyde
SMILESO=Cc1nc2ccccc2c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C20H13NO2/c22-13-20-18-12-15(23-14-6-2-1-3-7-14)10-11-16(18)17-8-4-5-9-19(17)21-20/h1-13H
InChIKeyHGUUNQYGNWJCEE-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.99
Rot. Bonds3

About 8-phenoxyphenanthridine-6-carbaldehyde

8-phenoxyphenanthridine-6-carbaldehyde (PubChem CID 178074620) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 8-phenoxyphenanthridine-6-carbaldehyde.

Molecular Properties

Compound Name8-phenoxyphenanthridine-6-carbaldehyde
PubChem CID178074620
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name8-phenoxyphenanthridine-6-carbaldehyde
SMILESO=Cc1nc2ccccc2c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C20H13NO2/c22-13-20-18-12-15(23-14-6-2-1-3-7-14)10-11-16(18)17-8-4-5-9-19(17)21-20/h1-13H
InChIKeyHGUUNQYGNWJCEE-UHFFFAOYSA-N
XLogP4.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 142787718
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CID 143687887
2,4-diphenoxybenzaldehyde
CID 87301631
formic acid;7-phenoxyisoquinolin-4-ol
CID 175369132
2-phenoxybenzo[c]chromen-6-one
CID 164686095
3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline
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2-chloro-5-phenoxybenzaldehyde
CID 131420183
6-phenoxy-2-phenyl-3H-quinazolin-4-one
CID 166196696
copper;carbon dioxide;6-(4-methylphenoxy)-24-phenoxy-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22(27),23,25,28,30(37),31,33,35-nonadecaene
CID 160649022
1,3-dimethyl-5-phenoxyindole-2-carbaldehyde
CID 82501585
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627

Frequently Asked Questions

What is the IUPAC name of 8-phenoxyphenanthridine-6-carbaldehyde?
The IUPAC name of 8-phenoxyphenanthridine-6-carbaldehyde (CID 178074620) is 8-phenoxyphenanthridine-6-carbaldehyde.
What is the SMILES notation for 8-phenoxyphenanthridine-6-carbaldehyde?
The canonical SMILES for 8-phenoxyphenanthridine-6-carbaldehyde is O=Cc1nc2ccccc2c2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 8-phenoxyphenanthridine-6-carbaldehyde?
The InChIKey is HGUUNQYGNWJCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-13-20-18-12-15(23-14-6-2-1-3-7-14)10-11-16(18)17-8-4-5-9-19(17)21-20/h1-13H.
What are the key properties of 8-phenoxyphenanthridine-6-carbaldehyde?
8-phenoxyphenanthridine-6-carbaldehyde has a molecular weight of 299.33 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenoxyphenanthridine-6-carbaldehyde is sourced from PubChem (CID 178074620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).