3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole

C106H59B3N8O9 — CID 159787046

About 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole

3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 159787046) has the molecular formula C106H59B3N8O9 and a molecular weight of 1643.26 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 159787046
• Molecular Formula: C106H59B3N8O9
• Molecular Weight: 1643.26 g/mol
• Exact Mass: 1642.61
• IUPAC Name: 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole
• SMILES: [2H]c1c([2H])c2c3c(c1[2H])Oc1c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5n5c6c([2H])c([2H])c(C)c([2H])c6nc45)c([2H])c4c1B3c1c(c([2H])c([2H])c([2H])c1O4)O2.[2H]c1c([2H])c2c3c(c1[2H])Oc1c([2H])c([2H])c(C)c4c1B3c1c(c([2H])c(-n3c5ccccc5n5c6ccccc6nc35)c([2H])c1O4)O2.c1cc2c3c(c1)Oc1cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc4c1B3c1c(cccc1O4)O2
• InChI: InChI=1S/C42H23BN2O3.2C32H18BN3O3/c1-4-12-30-26(9-1)27-10-2-5-13-31(27)44(30)24-19-20-33-29(21-24)28-11-3-6-14-32(28)45(33)25-22-38-42-39(23-25)48-37-18-8-16-35-41(37)43(42)40-34(46-35)15-7-17-36(40)47-38;1-17-12-13-20-19(14-17)34-32-35(21-6-2-3-7-22(21)36(20)32)18-15-27-31-28(16-18)39-26-11-5-9-24-30(26)33(31)29-23(37-24)8-4-10-25(29)38-27;1-17-13-14-25-30-31(17)39-27-16-18(15-26-29(27)33(30)28-23(37-25)11-6-12-24(28)38-26)35-21-9-4-5-10-22(21)36-20-8-3-2-7-19(20)34-32(35)36/h1-23H;2*2-16H,1H3/i;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D;6D,11D,12D,13D,14D,15D,16D
• InChIKey: NIBUJRUTLBGOFN-MGHLQYCPSA-N
• XLogP: 19.86
• TPSA: 137.39 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 4
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1643.26
LogP ≤ 5	19.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole (CID 159787046) is 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole is [2H]c1c([2H])c2c3c(c1[2H])Oc1c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5n5c6c([2H])c([2H])c(C)c([2H])c6nc45)c([2H])c4c1B3c1c(c([2H])c([2H])c([2H])c1O4)O2.[2H]c1c([2H])c2c3c(c1[2H])Oc1c([2H])c([2H])c(C)c4c1B3c1c(c([2H])c(-n3c5ccccc5n5c6ccccc6nc35)c([2H])c1O4)O2.c1cc2c3c(c1)Oc1cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc4c1B3c1c(cccc1O4)O2.

What is the InChIKey of 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole?

The InChIKey is NIBUJRUTLBGOFN-MGHLQYCPSA-N. The full InChI is InChI=1S/C42H23BN2O3.2C32H18BN3O3/c1-4-12-30-26(9-1)27-10-2-5-13-31(27)44(30)24-19-20-33-29(21-24)28-11-3-6-14-32(28)45(33)25-22-38-42-39(23-25)48-37-18-8-16-35-41(37)43(42)40-34(46-35)15-7-17-36(40)47-38;1-17-12-13-20-19(14-17)34-32-35(21-6-2-3-7-22(21)36(20)32)18-15-27-31-28(16-18)39-26-11-5-9-24-30(26)33(31)29-23(37-24)8-4-10-25(29)38-27;1-17-13-14-25-30-31(17)39-27-16-18(15-26-29(27)33(30)28-23(37-25)11-6-12-24(28)38-26)35-21-9-4-5-10-22(21)36-20-8-3-2-7-19(20)34-32(35)36/h1-23H;2*2-16H,1H3/i;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D;6D,11D,12D,13D,14D,15D,16D.

What are the key properties of 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole?

3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1643.26 g/mol, XLogP of 19.86, 4 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole;1,2,4,7,8,9,10-heptadeuterio-3-methyl-6-(4,6,10,11,12,16,17,18-octadeuterio-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole;5-(4,6,10,11,12,16,17-heptadeuterio-18-methyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 159787046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).