11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene

C54H33BN2O2 — CID 177103943

About 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene

11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene (PubChem CID 177103943) has the molecular formula C54H33BN2O2 and a molecular weight of 752.68 g/mol. Its IUPAC name is 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene
• PubChem CID: 177103943
• Molecular Formula: C54H33BN2O2
• Molecular Weight: 752.68 g/mol
• Exact Mass: 752.26
• IUPAC Name: 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene
• SMILES: c1ccc(N2B3c4ccccc4Oc4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc(c43)-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc32)cc1
• InChI: InChI=1S/C54H33BN2O2/c1-2-14-37(15-3-1)57-49-31-34(35-27-29-43-42-19-7-12-24-50(42)58-52(43)32-35)26-28-41(49)44-30-36(33-53-54(44)55(57)45-20-8-13-25-51(45)59-53)38-16-4-9-21-46(38)56-47-22-10-5-17-39(47)40-18-6-11-23-48(40)56/h1-33H
• InChIKey: JLGFIJGPMFPSGN-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 30.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.68
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene?

The IUPAC name of 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene (CID 177103943) is 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene.

What is the SMILES notation for 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene?

The canonical SMILES for 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene is c1ccc(N2B3c4ccccc4Oc4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc(c43)-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc32)cc1.

What is the InChIKey of 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene?

The InChIKey is JLGFIJGPMFPSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33BN2O2/c1-2-14-37(15-3-1)57-49-31-34(35-27-29-43-42-19-7-12-24-50(42)58-52(43)32-35)26-28-41(49)44-30-36(33-53-54(44)55(57)45-20-8-13-25-51(45)59-53)38-16-4-9-21-46(38)56-47-22-10-5-17-39(47)40-18-6-11-23-48(40)56/h1-33H.

What are the key properties of 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene?

11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene has a molecular weight of 752.68 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene is sourced from PubChem (CID 177103943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).