5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C33H20O4S4 — CID 122374442

IUPAC5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1cc2c(s1)-c1sccc1C21c2cc(-c3scc4c3OCCO4)ccc2-c2ccc(-c3scc4c3OCCO4)cc21
InChIInChI=1S/C33H20O4S4/c1-3-19-20-4-2-18(30-28-26(16-41-30)35-8-10-37-28)14-24(20)33(21-5-11-38-31(21)32-22(33)6-12-39-32)23(19)13-17(1)29-27-25(15-40-29)34-7-9-36-27/h1-6,11-16H,7-10H2
InChIKeyKLNGTILCKPUJEW-UHFFFAOYSA-N
MW608.79 g/mol
LogP9.15
Rot. Bonds2

About 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 122374442) has the molecular formula C33H20O4S4 and a molecular weight of 608.79 g/mol. Its IUPAC name is 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID122374442
Molecular FormulaC33H20O4S4
Molecular Weight608.79 g/mol
Exact Mass608.02
IUPAC Name5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1cc2c(s1)-c1sccc1C21c2cc(-c3scc4c3OCCO4)ccc2-c2ccc(-c3scc4c3OCCO4)cc21
InChIInChI=1S/C33H20O4S4/c1-3-19-20-4-2-18(30-28-26(16-41-30)35-8-10-37-28)14-24(20)33(21-5-11-38-31(21)32-22(33)6-12-39-32)23(19)13-17(1)29-27-25(15-40-29)34-7-9-36-27/h1-6,11-16H,7-10H2
InChIKeyKLNGTILCKPUJEW-UHFFFAOYSA-N
XLogP9.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.79
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine 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

4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline
CID 59696867
ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 143921758
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(9,9-dioctylfluoren-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 101073016
2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene
CID 10885315
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 102262732
2-N',2-N',7-N',7-N'-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 90057855
5-[37-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,5,8,11,14,19,22,25,28,31-decaoxatricyclo[30.2.2.215,18]octatriaconta-1(35),15(38),16,18(37),32(36),33-hexaen-16-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 101083547
4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline
CID 67470058
6,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 171060555
2,4,7-tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1H-benzimidazole
CID 102263991
bromomethane;4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-1-methylpyridin-1-ium
CID 142292526
4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-phenyl-1H-benzimidazole
CID 90391275

Frequently Asked Questions

What is the IUPAC name of 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 122374442) is 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is c1cc2c(s1)-c1sccc1C21c2cc(-c3scc4c3OCCO4)ccc2-c2ccc(-c3scc4c3OCCO4)cc21.
What is the InChIKey of 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is KLNGTILCKPUJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20O4S4/c1-3-19-20-4-2-18(30-28-26(16-41-30)35-8-10-37-28)14-24(20)33(21-5-11-38-31(21)32-22(33)6-12-39-32)23(19)13-17(1)29-27-25(15-40-29)34-7-9-36-27/h1-6,11-16H,7-10H2.
What are the key properties of 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 608.79 g/mol, XLogP of 9.15, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 122374442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).