spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one

C23H15NO3 — CID 19084130

IUPACspiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one
SMILESO=c1c2ccccc2oc2ccc3c(c12)C=CC1(Cc2ccccc2N1)O3
InChIInChI=1S/C23H15NO3/c25-22-16-6-2-4-8-18(16)26-20-10-9-19-15(21(20)22)11-12-23(27-19)13-14-5-1-3-7-17(14)24-23/h1-12,24H,13H2
InChIKeyNKIDKTQNXVVOPX-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.72
Rot. Bonds

About spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one

spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one (PubChem CID 19084130) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one.

Molecular Properties

Compound Namespiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one
PubChem CID19084130
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Namespiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one
SMILESO=c1c2ccccc2oc2ccc3c(c12)C=CC1(Cc2ccccc2N1)O3
InChIInChI=1S/C23H15NO3/c25-22-16-6-2-4-8-18(16)26-20-10-9-19-15(21(20)22)11-12-23(27-19)13-14-5-1-3-7-17(14)24-23/h1-12,24H,13H2
InChIKeyNKIDKTQNXVVOPX-UHFFFAOYSA-N
XLogP4.72
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-spiro[1,3-dihydroindole-2,2'-chromene]
CID 102496123
4-[3-[4-(dimethylamino)phenyl]-[1]benzofuro[3,2-f]chromen-3-yl]-N,N-dimethylaniline
CID 54105324
6,8,14-trioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),11,15,17,19-octaen-21-one
CID 135193746
2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one
CID 142882633
8'-(1-methoxy-3-methylbutyl)spiro[1,3-dihydroindole-2,2'-chromene]
CID 67660018
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
1,3-dihydroxyxanthen-9-one
CID 5488193
propane;xanthen-9-one
CID 90876458
1-propan-2-ylsulfanylxanthen-9-one
CID 67242619
1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one
CID 174814629
1,2-bis(benzenesulfonyl)xanthen-9-one
CID 57005073
bis(9-oxoxanthen-1-yl) 2,3-dihydroxybutanedioate
CID 175499690

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one?
The IUPAC name of spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one (CID 19084130) is spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one.
What is the SMILES notation for spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one?
The canonical SMILES for spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one is O=c1c2ccccc2oc2ccc3c(c12)C=CC1(Cc2ccccc2N1)O3.
What is the InChIKey of spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one?
The InChIKey is NKIDKTQNXVVOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3/c25-22-16-6-2-4-8-18(16)26-20-10-9-19-15(21(20)22)11-12-23(27-19)13-14-5-1-3-7-17(14)24-23/h1-12,24H,13H2.
What are the key properties of spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one?
spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one has a molecular weight of 353.38 g/mol, XLogP of 4.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroindole-2,3'-pyrano[3,2-a]xanthene]-12'-one is sourced from PubChem (CID 19084130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).