(7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one

C22H17NO — CID 146169079

IUPAC(7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one
SMILESO=C1c2cccc3cccc(c23)C2=NCCC[C@@]12c1ccccc1
InChIInChI=1S/C22H17NO/c24-21-18-12-5-8-15-7-4-11-17(19(15)18)20-22(21,13-6-14-23-20)16-9-2-1-3-10-16/h1-5,7-12H,6,13-14H2/t22-/m0/s1
InChIKeyYAHTVVCVQAAUAM-QFIPXVFZSA-N
MW311.38 g/mol
LogP4.56
Rot. Bonds1

About (7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one

(7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one (PubChem CID 146169079) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is (7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one.

Molecular Properties

Compound Name(7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one
PubChem CID146169079
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name(7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one
SMILESO=C1c2cccc3cccc(c23)C2=NCCC[C@@]12c1ccccc1
InChIInChI=1S/C22H17NO/c24-21-18-12-5-8-15-7-4-11-17(19(15)18)20-22(21,13-6-14-23-20)16-9-2-1-3-10-16/h1-5,7-12H,6,13-14H2/t22-/m0/s1
InChIKeyYAHTVVCVQAAUAM-QFIPXVFZSA-N
XLogP4.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-1-aza-benzo[de]anthracen-7-one
CID 636991
16-Azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),9,11,13(17)-pentaen-8-one
CID 5242334
1-[(E)-3-[4-(cyclohexyliminomethyl)phenyl]prop-2-enoyl]anthracene-9,10-dione
CID 72947873
1-[(E)-3-[4-(benzyliminomethyl)phenyl]prop-2-enoyl]anthracene-9,10-dione
CID 72947874
(10E)-10-(benzhydrylidenehydrazinylidene)phenanthren-9-one
CID 5834467
3-(4-Methylphenyl)-1,1-diphenylisoquinolin-4(1H)-one
CID 13525903
1,1,3-Triphenylisoquinolin-4-one
CID 13525904
3,4-Dihydro-1-isoquinolinyl(phenyl)methanone
CID 12631416
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(4-fluoronaphthalen-1-yl)ethanone
CID 91148029
3,11-Difluorospiro[2,12-diazatricyclo[7.3.1.05,13]trideca-2,4,9,11-tetraene-7,10'-anthracene]-9'-one
CID 141941805
(Z)-2-{(E)-[(Naphthalen-1-yl)methylidene]hydrazinylidene}-1,2-diphenylethanone
CID 6906610
(9S,13R,17R)-12-ethenyl-17-methyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11-pentaen-8-one
CID 101955275

Frequently Asked Questions

What is the IUPAC name of (7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one?
The IUPAC name of (7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one (CID 146169079) is (7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one.
What is the SMILES notation for (7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one?
The canonical SMILES for (7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one is O=C1c2cccc3cccc(c23)C2=NCCC[C@@]12c1ccccc1.
What is the InChIKey of (7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one?
The InChIKey is YAHTVVCVQAAUAM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H17NO/c24-21-18-12-5-8-15-7-4-11-17(19(15)18)20-22(21,13-6-14-23-20)16-9-2-1-3-10-16/h1-5,7-12H,6,13-14H2/t22-/m0/s1.
What are the key properties of (7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one?
(7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one has a molecular weight of 311.38 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-7a-phenyl-9,10-dihydro-8H-phenaleno[1,2-b]pyridin-7-one is sourced from PubChem (CID 146169079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).