[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane

C159H99B3N8O9Si3 — CID 160547007

About [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane

[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane (PubChem CID 160547007) has the molecular formula C159H99B3N8O9Si3 and a molecular weight of 2389.32 g/mol. Its IUPAC name is [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane.

Molecular Properties

• Compound Name: [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane
• PubChem CID: 160547007
• Molecular Formula: C159H99B3N8O9Si3
• Molecular Weight: 2389.32 g/mol
• Exact Mass: 2387.76
• IUPAC Name: [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane
• SMILES: [2H]c1c(C)c([2H])c2c(nc3n(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5cc6c7c(c5)Oc5cccc8c5B7c5c(cccc5O6)O8)c4)c4c([2H])c([2H])c([2H])c([2H])c4n23)c1[2H].c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2cc3c4c(c2)Oc2cccc5c2B4c2c(cccc2O3)O5)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)c2cc3c4c(c2)Oc2cccc5c2B4c2c(cccc2O3)O5)cc1
• InChI: InChI=1S/C60H37BN2O3Si.C50H32BN3O3Si.C49H30BN3O3Si/c1-3-17-40(18-4-1)67(41-19-5-2-6-20-41,43-36-56-60-57(37-43)66-55-31-15-29-53-59(55)61(60)58-52(64-53)28-14-30-54(58)65-56)42-21-13-16-38(34-42)62-50-27-12-9-24-46(50)47-35-39(32-33-51(47)62)63-48-25-10-7-22-44(48)45-23-8-11-26-49(45)63;1-31-25-26-37-40(27-31)54-39-20-9-8-19-38(39)53(50(54)52-37)32-13-10-18-35(28-32)58(33-14-4-2-5-15-33,34-16-6-3-7-17-34)36-29-45-49-46(30-36)57-44-24-12-22-42-48(44)51(49)47-41(55-42)21-11-23-43(47)56-45;1-3-15-32(16-4-1)57(33-17-5-2-6-18-33,34-19-11-14-31(28-34)52-38-22-9-10-23-39(38)53-37-21-8-7-20-36(37)51-49(52)53)35-29-44-48-45(30-35)56-43-27-13-25-41-47(43)50(48)46-40(54-41)24-12-26-42(46)55-44/h1-37H;2-30H,1H3;1-30H/i;8D,9D,19D,20D,25D,26D,27D
• InChIKey: QXOGJQUURMLHQF-FHNCJUJZSA-N
• XLogP: 23.68
• TPSA: 137.39 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2389.32
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane?

The IUPAC name of [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane (CID 160547007) is [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane.

What is the SMILES notation for [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane?

The canonical SMILES for [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane is [2H]c1c(C)c([2H])c2c(nc3n(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5cc6c7c(c5)Oc5cccc8c5B7c5c(cccc5O6)O8)c4)c4c([2H])c([2H])c([2H])c([2H])c4n23)c1[2H].c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2cc3c4c(c2)Oc2cccc5c2B4c2c(cccc2O3)O5)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)c2cc3c4c(c2)Oc2cccc5c2B4c2c(cccc2O3)O5)cc1.

What is the InChIKey of [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane?

The InChIKey is QXOGJQUURMLHQF-FHNCJUJZSA-N. The full InChI is InChI=1S/C60H37BN2O3Si.C50H32BN3O3Si.C49H30BN3O3Si/c1-3-17-40(18-4-1)67(41-19-5-2-6-20-41,43-36-56-60-57(37-43)66-55-31-15-29-53-59(55)61(60)58-52(64-53)28-14-30-54(58)65-56)42-21-13-16-38(34-42)62-50-27-12-9-24-46(50)47-35-39(32-33-51(47)62)63-48-25-10-7-22-44(48)45-23-8-11-26-49(45)63;1-31-25-26-37-40(27-31)54-39-20-9-8-19-38(39)53(50(54)52-37)32-13-10-18-35(28-32)58(33-14-4-2-5-15-33,34-16-6-3-7-17-34)36-29-45-49-46(30-36)57-44-24-12-22-42-48(44)51(49)47-41(55-42)21-11-23-43(47)56-45;1-3-15-32(16-4-1)57(33-17-5-2-6-18-33,34-19-11-14-31(28-34)52-38-22-9-10-23-39(38)53-37-21-8-7-20-36(37)51-49(52)53)35-29-44-48-45(30-35)56-43-27-13-25-41-47(43)50(48)46-40(54-41)24-12-26-42(46)55-44/h1-37H;2-30H,1H3;1-30H/i;8D,9D,19D,20D,25D,26D,27D;.

What are the key properties of [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane?

[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane has a molecular weight of 2389.32 g/mol, XLogP of 23.68, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenyl-(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)silane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(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)silane;[3-(1,3,4,7,8,9,10-heptadeuterio-2-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]-diphenyl-(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)silane is sourced from PubChem (CID 160547007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).