4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene

C205H142B4N8 — CID 159337905

About 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene

4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene (PubChem CID 159337905) has the molecular formula C205H142B4N8 and a molecular weight of 2760.69 g/mol. Its IUPAC name is 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
• PubChem CID: 159337905
• Molecular Formula: C205H142B4N8
• Molecular Weight: 2760.69 g/mol
• Exact Mass: 2759.17
• IUPAC Name: 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
• SMILES: Cc1cc(C)c(B2c3ccc(-n4c5ccccc5c5ccccc54)cc3N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4cccc2c43)c(C)c1.c1ccc(-c2ccc(B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5cccc3c54)cc2)cc1.c1ccc(B2c3ccccc3N3c4cc(-n5c6ccccc6c6ccccc65)ccc4C(c4ccccc4)(c4ccccc4)c4cccc2c43)cc1.c1ccc(B2c3ccccc3N3c4ccc(-n5c6ccccc6c6ccccc65)cc4C(c4ccccc4)(c4ccccc4)c4cccc2c43)cc1
• InChI: InChI=1S/C55H37BN2.C52H39BN2.2C49H33BN2/c1-4-17-38(18-5-1)39-31-33-42(34-32-39)56-48-36-35-43(57-50-28-13-10-23-44(50)45-24-11-14-29-51(45)57)37-53(48)58-52-30-15-12-25-46(52)55(40-19-6-2-7-20-40,41-21-8-3-9-22-41)47-26-16-27-49(56)54(47)58;1-34-31-35(2)50(36(3)32-34)53-44-30-29-39(54-46-26-13-10-21-40(46)41-22-11-14-27-47(41)54)33-49(44)55-48-28-15-12-23-42(48)52(37-17-6-4-7-18-37,38-19-8-5-9-20-38)43-24-16-25-45(53)51(43)55;1-4-17-34(18-5-1)49(35-19-6-2-7-20-35)40-32-31-37(51-44-28-13-10-23-38(44)39-24-11-14-29-45(39)51)33-47(40)52-46-30-15-12-26-42(46)50(36-21-8-3-9-22-36)43-27-16-25-41(49)48(43)52;1-4-17-34(18-5-1)49(35-19-6-2-7-20-35)40-25-16-27-43-48(40)52(47-30-15-12-26-42(47)50(43)36-21-8-3-9-22-36)46-32-31-37(33-41(46)49)51-44-28-13-10-23-38(44)39-24-11-14-29-45(39)51/h1-37H;4-33H,1-3H3;2*1-33H
• InChIKey: LFTVBHRPTJVPFB-UHFFFAOYSA-N
• XLogP: 41.71
• TPSA: 32.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2760.69
LogP ≤ 5	41.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?

The IUPAC name of 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene (CID 159337905) is 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene.

What is the SMILES notation for 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?

The canonical SMILES for 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene is Cc1cc(C)c(B2c3ccc(-n4c5ccccc5c5ccccc54)cc3N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4cccc2c43)c(C)c1.c1ccc(-c2ccc(B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5cccc3c54)cc2)cc1.c1ccc(B2c3ccccc3N3c4cc(-n5c6ccccc6c6ccccc65)ccc4C(c4ccccc4)(c4ccccc4)c4cccc2c43)cc1.c1ccc(B2c3ccccc3N3c4ccc(-n5c6ccccc6c6ccccc65)cc4C(c4ccccc4)(c4ccccc4)c4cccc2c43)cc1.

What is the InChIKey of 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?

The InChIKey is LFTVBHRPTJVPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37BN2.C52H39BN2.2C49H33BN2/c1-4-17-38(18-5-1)39-31-33-42(34-32-39)56-48-36-35-43(57-50-28-13-10-23-44(50)45-24-11-14-29-51(45)57)37-53(48)58-52-30-15-12-25-46(52)55(40-19-6-2-7-20-40,41-21-8-3-9-22-41)47-26-16-27-49(56)54(47)58;1-34-31-35(2)50(36(3)32-34)53-44-30-29-39(54-46-26-13-10-21-40(46)41-22-11-14-27-47(41)54)33-49(44)55-48-28-15-12-23-42(48)52(37-17-6-4-7-18-37,38-19-8-5-9-20-38)43-24-16-25-45(53)51(43)55;1-4-17-34(18-5-1)49(35-19-6-2-7-20-35)40-32-31-37(51-44-28-13-10-23-38(44)39-24-11-14-29-45(39)51)33-47(40)52-46-30-15-12-26-42(46)50(36-21-8-3-9-22-36)43-27-16-25-41(49)48(43)52;1-4-17-34(18-5-1)49(35-19-6-2-7-20-35)40-25-16-27-43-48(40)52(47-30-15-12-26-42(47)50(43)36-21-8-3-9-22-36)46-32-31-37(33-41(46)49)51-44-28-13-10-23-38(44)39-24-11-14-29-45(39)51/h1-37H;4-33H,1-3H3;2*1-33H.

What are the key properties of 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?

4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 2760.69 g/mol, XLogP of 41.71, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-diphenyl-8-(2,4,6-trimethylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;17-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;18-carbazol-9-yl-8,14,14-triphenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 159337905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).