26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene

C52H27BN2O2S — CID 174127717

About 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene

26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene (PubChem CID 174127717) has the molecular formula C52H27BN2O2S and a molecular weight of 754.68 g/mol. Its IUPAC name is 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene.

Molecular Properties

• Compound Name: 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene
• PubChem CID: 174127717
• Molecular Formula: C52H27BN2O2S
• Molecular Weight: 754.68 g/mol
• Exact Mass: 754.19
• IUPAC Name: 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene
• SMILES: c1ccc2c(c1)ccc1c2c2cccc3c2n1-c1cc2c(sc4ccccc42)c2c1B3N(c1cccc3c1oc1ccccc13)c1ccc3c(oc4ccccc43)c1-2
• InChI: InChI=1S/C52H27BN2O2S/c1-2-12-29-28(11-1)23-25-38-45(29)35-17-9-18-37-49(35)54(38)41-27-36-32-15-5-8-22-44(32)58-52(36)47-46-39(26-24-34-31-14-4-7-21-43(31)57-51(34)46)55(53(37)48(41)47)40-19-10-16-33-30-13-3-6-20-42(30)56-50(33)40/h1-27H
• InChIKey: UGQGCSUXKKTZHU-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 34.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.68
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene?

The IUPAC name of 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene (CID 174127717) is 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene.

What is the SMILES notation for 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene?

The canonical SMILES for 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene is c1ccc2c(c1)ccc1c2c2cccc3c2n1-c1cc2c(sc4ccccc42)c2c1B3N(c1cccc3c1oc1ccccc13)c1ccc3c(oc4ccccc43)c1-2.

What is the InChIKey of 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene?

The InChIKey is UGQGCSUXKKTZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H27BN2O2S/c1-2-12-29-28(11-1)23-25-38-45(29)35-17-9-18-37-49(35)54(38)41-27-36-32-15-5-8-22-44(32)58-52(36)47-46-39(26-24-34-31-14-4-7-21-43(31)57-51(34)46)55(53(37)48(41)47)40-19-10-16-33-30-13-3-6-20-42(30)56-50(33)40/h1-27H.

What are the key properties of 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene?

26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene has a molecular weight of 754.68 g/mol, XLogP of 13.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 26-dibenzofuran-4-yl-15-oxa-10-thia-26,43-diaza-27-boradodecacyclo[25.16.1.128,32.03,11.04,9.012,44.013,25.014,22.016,21.033,42.034,39.043,45]pentatetraconta-1(44),2,4,6,8,11,13(25),14(22),16,18,20,23,28(45),29,31,33(42),34,36,38,40-icosaene is sourced from PubChem (CID 174127717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).