14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

C54H35BGeO2 — CID 169051959

About 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 169051959) has the molecular formula C54H35BGeO2 and a molecular weight of 799.29 g/mol. Its IUPAC name is 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
• PubChem CID: 169051959
• Molecular Formula: C54H35BGeO2
• Molecular Weight: 799.29 g/mol
• Exact Mass: 800.19
• IUPAC Name: 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
• SMILES: c1ccc(-c2cccc(-c3cccc4c3oc3c(-c5cc6c7c(c5)[Ge](c5ccccc5)(c5ccccc5)c5ccccc5B7c5ccccc5O6)cccc34)c2)cc1
• InChI: InChI=1S/C54H35BGeO2/c1-4-17-36(18-5-1)37-19-14-20-38(33-37)42-25-15-27-44-45-28-16-26-43(54(45)58-53(42)44)39-34-49-52-51(35-39)57-50-32-13-11-30-47(50)55(52)46-29-10-12-31-48(46)56(49,40-21-6-2-7-22-40)41-23-8-3-9-24-41/h1-35H
• InChIKey: GUNVCHIALDYVJY-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 22.37 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.29
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The IUPAC name of 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 169051959) is 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

What is the SMILES notation for 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The canonical SMILES for 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is c1ccc(-c2cccc(-c3cccc4c3oc3c(-c5cc6c7c(c5)[Ge](c5ccccc5)(c5ccccc5)c5ccccc5B7c5ccccc5O6)cccc34)c2)cc1.

What is the InChIKey of 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The InChIKey is GUNVCHIALDYVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35BGeO2/c1-4-17-36(18-5-1)37-19-14-20-38(33-37)42-25-15-27-44-45-28-16-26-43(54(45)58-53(42)44)39-34-49-52-51(35-39)57-50-32-13-11-30-47(50)55(52)46-29-10-12-31-48(46)56(49,40-21-6-2-7-22-40)41-23-8-3-9-24-41/h1-35H.

What are the key properties of 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 799.29 g/mol, XLogP of 8.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-diphenyl-11-[6-(3-phenylphenyl)dibenzofuran-4-yl]-8-oxa-14-germa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 169051959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).