9-iodo-5-quinolin-8-ylphenanthridin-6-one

C22H13IN2O — CID 158402058

IUPAC9-iodo-5-quinolin-8-ylphenanthridin-6-one
SMILESO=c1c2ccc(I)cc2c2ccccc2n1-c1cccc2cccnc12
InChIInChI=1S/C22H13IN2O/c23-15-10-11-17-18(13-15)16-7-1-2-8-19(16)25(22(17)26)20-9-3-5-14-6-4-12-24-21(14)20/h1-13H
InChIKeyGYFNEKHTDHTDFF-UHFFFAOYSA-N
MW448.26 g/mol
LogP5.30
Rot. Bonds1

About 9-iodo-5-quinolin-8-ylphenanthridin-6-one

9-iodo-5-quinolin-8-ylphenanthridin-6-one (PubChem CID 158402058) has the molecular formula C22H13IN2O and a molecular weight of 448.26 g/mol. Its IUPAC name is 9-iodo-5-quinolin-8-ylphenanthridin-6-one.

Molecular Properties

Compound Name9-iodo-5-quinolin-8-ylphenanthridin-6-one
PubChem CID158402058
Molecular FormulaC22H13IN2O
Molecular Weight448.26 g/mol
Exact Mass448.01
IUPAC Name9-iodo-5-quinolin-8-ylphenanthridin-6-one
SMILESO=c1c2ccc(I)cc2c2ccccc2n1-c1cccc2cccnc12
InChIInChI=1S/C22H13IN2O/c23-15-10-11-17-18(13-15)16-7-1-2-8-19(16)25(22(17)26)20-9-3-5-14-6-4-12-24-21(14)20/h1-13H
InChIKeyGYFNEKHTDHTDFF-UHFFFAOYSA-N
XLogP5.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.26
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810
1-methyl-5-quinolin-8-ylphenanthridin-6-one
CID 164682820
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 140828596
9-[4-(1-quinolin-8-ylbenzimidazol-2-yl)phenyl]carbazole
CID 21356976
10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118003229
6-[3,5-di(carbazol-9-yl)phenyl]-2-(1,10-phenanthrolin-5-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 140828595
11-phenyl-5-quinolin-8-ylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310218
5-(3,5-diphenylphenyl)-9-[3-[3-(5-oxobenzo[h][1,6]naphthyridin-6-yl)phenyl]phenyl]benzo[c][1,10]phenanthrolin-6-one
CID 137401870
6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one
CID 110491246
9-chloro-5-pyridin-2-ylphenanthridin-6-one
CID 154707535
5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
CID 118487867

Frequently Asked Questions

What is the IUPAC name of 9-iodo-5-quinolin-8-ylphenanthridin-6-one?
The IUPAC name of 9-iodo-5-quinolin-8-ylphenanthridin-6-one (CID 158402058) is 9-iodo-5-quinolin-8-ylphenanthridin-6-one.
What is the SMILES notation for 9-iodo-5-quinolin-8-ylphenanthridin-6-one?
The canonical SMILES for 9-iodo-5-quinolin-8-ylphenanthridin-6-one is O=c1c2ccc(I)cc2c2ccccc2n1-c1cccc2cccnc12.
What is the InChIKey of 9-iodo-5-quinolin-8-ylphenanthridin-6-one?
The InChIKey is GYFNEKHTDHTDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13IN2O/c23-15-10-11-17-18(13-15)16-7-1-2-8-19(16)25(22(17)26)20-9-3-5-14-6-4-12-24-21(14)20/h1-13H.
What are the key properties of 9-iodo-5-quinolin-8-ylphenanthridin-6-one?
9-iodo-5-quinolin-8-ylphenanthridin-6-one has a molecular weight of 448.26 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-5-quinolin-8-ylphenanthridin-6-one is sourced from PubChem (CID 158402058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).