2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine

C17H17Br2NO3Te — CID 102092633

IUPAC2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine
SMILESCC(C)O[Te]12Oc3ccc(Br)cc3CN1Cc1cc(Br)ccc1O2
InChIInChI=1S/C17H17Br2NO3Te/c1-11(2)21-24-20(9-12-7-14(18)3-5-16(12)22-24)10-13-8-15(19)4-6-17(13)23-24/h3-8,11H,9-10H2,1-2H3
InChIKeySDYPYWMJAMYULK-UHFFFAOYSA-N
MW570.74 g/mol
LogP4.86
Rot. Bonds2

About 2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine

2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine (PubChem CID 102092633) has the molecular formula C17H17Br2NO3Te and a molecular weight of 570.74 g/mol. Its IUPAC name is 2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine.

Molecular Properties

Compound Name2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine
PubChem CID102092633
Molecular FormulaC17H17Br2NO3Te
Molecular Weight570.74 g/mol
Exact Mass570.86
IUPAC Name2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine
SMILESCC(C)O[Te]12Oc3ccc(Br)cc3CN1Cc1cc(Br)ccc1O2
InChIInChI=1S/C17H17Br2NO3Te/c1-11(2)21-24-20(9-12-7-14(18)3-5-16(12)22-24)10-13-8-15(19)4-6-17(13)23-24/h3-8,11H,9-10H2,1-2H3
InChIKeySDYPYWMJAMYULK-UHFFFAOYSA-N
XLogP4.86
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.74
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine?
The IUPAC name of 2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine (CID 102092633) is 2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine.
What is the SMILES notation for 2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine?
The canonical SMILES for 2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine is CC(C)O[Te]12Oc3ccc(Br)cc3CN1Cc1cc(Br)ccc1O2.
What is the InChIKey of 2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine?
The InChIKey is SDYPYWMJAMYULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO3Te/c1-11(2)21-24-20(9-12-7-14(18)3-5-16(12)22-24)10-13-8-15(19)4-6-17(13)23-24/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine?
2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine has a molecular weight of 570.74 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dibromo-6-propan-2-yloxy-12,14-dihydro-[1,2,3]benzoxatellurazino[2,3-b][1,2,3]benzoxatellurazine is sourced from PubChem (CID 102092633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).