(23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione

C23H15NO2 — CID 89328403

IUPAC(23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione
SMILESO=C1c2cc3[nH]c4ccccc4c(=O)c3cc2/C=C\Cc2ccccc21
InChIInChI=1S/C23H15NO2/c25-22-16-9-2-1-6-14(16)7-5-8-15-12-19-21(13-18(15)22)24-20-11-4-3-10-17(20)23(19)26/h1-6,8-13H,7H2,(H,24,26)/b8-5-
InChIKeyRZOSHLTZIGAGTB-YVMONPNESA-N
MW337.38 g/mol
LogP4.48
Rot. Bonds

About (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione

(23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione (PubChem CID 89328403) has the molecular formula C23H15NO2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione.

Molecular Properties

Compound Name(23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione
PubChem CID89328403
Molecular FormulaC23H15NO2
Molecular Weight337.38 g/mol
Exact Mass337.11
IUPAC Name(23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione
SMILESO=C1c2cc3[nH]c4ccccc4c(=O)c3cc2/C=C\Cc2ccccc21
InChIInChI=1S/C23H15NO2/c25-22-16-9-2-1-6-14(16)7-5-8-15-12-19-21(13-18(15)22)24-20-11-4-3-10-17(20)23(19)26/h1-6,8-13H,7H2,(H,24,26)/b8-5-
InChIKeyRZOSHLTZIGAGTB-YVMONPNESA-N
XLogP4.48
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione with MolForge

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Related Compounds

5,12-dihydronaphtho[3,2-b]acridine-7,14-dione
CID 59787127
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
10H-acridin-9-one
CID 22753806
10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one
CID 174802496
10H-acridin-9-one;ethane
CID 91525380
10,12-dihydro-5H-quinolino[2,3-b]acridine-7,9,14-trione
CID 154309205
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane;methanesulfonate;methylsulfonylmethane;yttrium
CID 160914916
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
9-oxo-10H-acridine-2-sulfonyl chloride
CID 59000158
5,6-dihydrobenzo[b]carbazol-11-one
CID 123961016
9H-carbazole;bis(9H-fluorene)
CID 158703465
4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 162179481

Frequently Asked Questions

What is the IUPAC name of (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione?
The IUPAC name of (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione (CID 89328403) is (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione.
What is the SMILES notation for (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione?
The canonical SMILES for (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione is O=C1c2cc3[nH]c4ccccc4c(=O)c3cc2/C=C\Cc2ccccc21.
What is the InChIKey of (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione?
The InChIKey is RZOSHLTZIGAGTB-YVMONPNESA-N. The full InChI is InChI=1S/C23H15NO2/c25-22-16-9-2-1-6-14(16)7-5-8-15-12-19-21(13-18(15)22)24-20-11-4-3-10-17(20)23(19)26/h1-6,8-13H,7H2,(H,24,26)/b8-5-.
What are the key properties of (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione?
(23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione has a molecular weight of 337.38 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (23E)-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20,23-decaene-4,15-dione is sourced from PubChem (CID 89328403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).