3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole

C27H23NO4S2 — CID 59745646

IUPAC3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole
SMILESCC(C)n1c2ccc(-c3scc4c3OCCO4)cc2c2cc(-c3scc4c3OCCO4)ccc21
InChIInChI=1S/C27H23NO4S2/c1-15(2)28-20-5-3-16(26-24-22(13-33-26)29-7-9-31-24)11-18(20)19-12-17(4-6-21(19)28)27-25-23(14-34-27)30-8-10-32-25/h3-6,11-15H,7-10H2,1-2H3
InChIKeyBULVGJYDODTESA-UHFFFAOYSA-N
MW489.62 g/mol
LogP7.37
Rot. Bonds3

About 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole

3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole (PubChem CID 59745646) has the molecular formula C27H23NO4S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole.

Molecular Properties

Compound Name3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole
PubChem CID59745646
Molecular FormulaC27H23NO4S2
Molecular Weight489.62 g/mol
Exact Mass489.11
IUPAC Name3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole
SMILESCC(C)n1c2ccc(-c3scc4c3OCCO4)cc2c2cc(-c3scc4c3OCCO4)ccc21
InChIInChI=1S/C27H23NO4S2/c1-15(2)28-20-5-3-16(26-24-22(13-33-26)29-7-9-31-24)11-18(20)19-12-17(4-6-21(19)28)27-25-23(14-34-27)30-8-10-32-25/h3-6,11-15H,7-10H2,1-2H3
InChIKeyBULVGJYDODTESA-UHFFFAOYSA-N
XLogP7.37
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole?
The IUPAC name of 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole (CID 59745646) is 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole.
What is the SMILES notation for 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole?
The canonical SMILES for 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole is CC(C)n1c2ccc(-c3scc4c3OCCO4)cc2c2cc(-c3scc4c3OCCO4)ccc21.
What is the InChIKey of 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole?
The InChIKey is BULVGJYDODTESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4S2/c1-15(2)28-20-5-3-16(26-24-22(13-33-26)29-7-9-31-24)11-18(20)19-12-17(4-6-21(19)28)27-25-23(14-34-27)30-8-10-32-25/h3-6,11-15H,7-10H2,1-2H3.
What are the key properties of 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole?
3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole has a molecular weight of 489.62 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9-propan-2-ylcarbazole is sourced from PubChem (CID 59745646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).