14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C61H40BFN2Se — CID 169030422

About 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 169030422) has the molecular formula C61H40BFN2Se and a molecular weight of 912.79 g/mol. Its IUPAC name is 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 169030422
• Molecular Formula: C61H40BFN2Se
• Molecular Weight: 912.79 g/mol
• Exact Mass: 913.26
• IUPAC Name: 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: [2H]C([2H])([2H])c1ccc2c(c1)c1ccc(F)cc1n2-c1cc2c3c(c1)N(c1c(-c4ccccc4)cccc1-c1ccccc1)c1ccc(-c4ccccc4)cc1B3c1cc(-c3ccccc3)ccc1[Se]2
• InChI: InChI=1S/C61H40BFN2Se/c1-39-25-30-54-51(33-39)50-29-28-46(63)36-56(50)64(54)47-37-57-60-59(38-47)66-58-32-27-45(41-17-8-3-9-18-41)35-53(58)62(60)52-34-44(40-15-6-2-7-16-40)26-31-55(52)65(57)61-48(42-19-10-4-11-20-42)23-14-24-49(61)43-21-12-5-13-22-43/h2-38H,1H3/i1D3
• InChIKey: OUGGAZAJGZASAN-FIBGUPNXSA-N
• XLogP: 12.17
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.79
LogP ≤ 5	12.17
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-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 169030422) is 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is [2H]C([2H])([2H])c1ccc2c(c1)c1ccc(F)cc1n2-c1cc2c3c(c1)N(c1c(-c4ccccc4)cccc1-c1ccccc1)c1ccc(-c4ccccc4)cc1B3c1cc(-c3ccccc3)ccc1[Se]2.

What is the InChIKey of 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is OUGGAZAJGZASAN-FIBGUPNXSA-N. The full InChI is InChI=1S/C61H40BFN2Se/c1-39-25-30-54-51(33-39)50-29-28-46(63)36-56(50)64(54)47-37-57-60-59(38-47)66-58-32-27-45(41-17-8-3-9-18-41)35-53(58)62(60)52-34-44(40-15-6-2-7-16-40)26-31-55(52)65(57)61-48(42-19-10-4-11-20-42)23-14-24-49(61)43-21-12-5-13-22-43/h2-38H,1H3/i1D3.

What are the key properties of 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 912.79 g/mol, XLogP of 12.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(2,6-diphenylphenyl)-11-[2-fluoro-6-(trideuteriomethyl)carbazol-9-yl]-4,18-diphenyl-8-selena-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 169030422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).