10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one

C32H21NO3 — CID 169207723

IUPAC10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
SMILESO=C1OC2(c3ccc(N4CCc5ccccc54)cc3Oc3c2ccc2ccccc32)c2ccccc21
InChIInChI=1S/C32H21NO3/c34-31-24-10-4-5-11-25(24)32(36-31)26-16-14-22(33-18-17-21-8-2-6-12-28(21)33)19-29(26)35-30-23-9-3-1-7-20(23)13-15-27(30)32/h1-16,19H,17-18H2
InChIKeyBNUGXFLQDAXBKM-UHFFFAOYSA-N
MW467.52 g/mol
LogP7.10
Rot. Bonds1

About 10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one

10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one (PubChem CID 169207723) has the molecular formula C32H21NO3 and a molecular weight of 467.52 g/mol. Its IUPAC name is 10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one.

Molecular Properties

Compound Name10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
PubChem CID169207723
Molecular FormulaC32H21NO3
Molecular Weight467.52 g/mol
Exact Mass467.15
IUPAC Name10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
SMILESO=C1OC2(c3ccc(N4CCc5ccccc54)cc3Oc3c2ccc2ccccc32)c2ccccc21
InChIInChI=1S/C32H21NO3/c34-31-24-10-4-5-11-25(24)32(36-31)26-16-14-22(33-18-17-21-8-2-6-12-28(21)33)19-29(26)35-30-23-9-3-1-7-20(23)13-15-27(30)32/h1-16,19H,17-18H2
InChIKeyBNUGXFLQDAXBKM-UHFFFAOYSA-N
XLogP7.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
CID 169207762
6'-[butan-2-yl(ethyl)amino]-2'-(3,4-dihydro-2H-quinolin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704941
10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 90471691
2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 15918903
3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 14876464
1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2,3-dihydroindole
CID 118670953
3',6'-bis(triazirin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2840289
1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole
CID 23471143
6-chloro-7-hydroxyspiro[2,20-dioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,10,15,21-octaene-13,3'-2-benzofuran]-1',19-dione;ethane
CID 143530748
10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenoxazine
CID 135229425
3'-(3-fluoroazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 135207761
3',6'-dihydroxy-4'-(piperazin-1-ylmethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 19609090

Frequently Asked Questions

What is the IUPAC name of 10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one?
The IUPAC name of 10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one (CID 169207723) is 10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one.
What is the SMILES notation for 10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one?
The canonical SMILES for 10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one is O=C1OC2(c3ccc(N4CCc5ccccc54)cc3Oc3c2ccc2ccccc32)c2ccccc21.
What is the InChIKey of 10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one?
The InChIKey is BNUGXFLQDAXBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO3/c34-31-24-10-4-5-11-25(24)32(36-31)26-16-14-22(33-18-17-21-8-2-6-12-28(21)33)19-29(26)35-30-23-9-3-1-7-20(23)13-15-27(30)32/h1-16,19H,17-18H2.
What are the key properties of 10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one?
10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one has a molecular weight of 467.52 g/mol, XLogP of 7.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one is sourced from PubChem (CID 169207723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).