spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene]

C23H14O3 — CID 71361465

IUPACspiro[1,3-benzodioxole-2,12'-benzo[a]xanthene]
SMILESc1ccc2c(c1)OC1(O2)c2ccccc2Oc2ccc3ccccc3c21
InChIInChI=1S/C23H14O3/c1-2-8-16-15(7-1)13-14-21-22(16)23(17-9-3-4-10-18(17)24-21)25-19-11-5-6-12-20(19)26-23/h1-14H
InChIKeyQJFBPKBUFBNDHJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP5.62
Rot. Bonds

About spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene]

spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene] (PubChem CID 71361465) has the molecular formula C23H14O3 and a molecular weight of 338.36 g/mol. Its IUPAC name is spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene].

Molecular Properties

Compound Namespiro[1,3-benzodioxole-2,12'-benzo[a]xanthene]
PubChem CID71361465
Molecular FormulaC23H14O3
Molecular Weight338.36 g/mol
Exact Mass338.09
IUPAC Namespiro[1,3-benzodioxole-2,12'-benzo[a]xanthene]
SMILESc1ccc2c(c1)OC1(O2)c2ccccc2Oc2ccc3ccccc3c21
InChIInChI=1S/C23H14O3/c1-2-8-16-15(7-1)13-14-21-22(16)23(17-9-3-4-10-18(17)24-21)25-19-11-5-6-12-20(19)26-23/h1-14H
InChIKeyQJFBPKBUFBNDHJ-UHFFFAOYSA-N
XLogP5.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene
CID 129289170
9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 170019541
9-(2-naphthalen-1-ylphenyl)xanthen-9-ol
CID 118521018
12H-benzo[a]phenoxazine
CID 13409908
11-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylspiro[benzo[a]xanthene-12,9'-fluorene]
CID 177127643
1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352
2'-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037298
9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 177127137
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
1-[8-(9,9-dimethylxanthen-1-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333366
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 170031817

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene]?
The IUPAC name of spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene] (CID 71361465) is spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene].
What is the SMILES notation for spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene]?
The canonical SMILES for spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene] is c1ccc2c(c1)OC1(O2)c2ccccc2Oc2ccc3ccccc3c21.
What is the InChIKey of spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene]?
The InChIKey is QJFBPKBUFBNDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O3/c1-2-8-16-15(7-1)13-14-21-22(16)23(17-9-3-4-10-18(17)24-21)25-19-11-5-6-12-20(19)26-23/h1-14H.
What are the key properties of spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene]?
spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene] has a molecular weight of 338.36 g/mol, XLogP of 5.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene] is sourced from PubChem (CID 71361465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).