5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole

C129H75B3N12O6 — CID 159692495

About 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole

5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole (PubChem CID 159692495) has the molecular formula C129H75B3N12O6 and a molecular weight of 1921.53 g/mol. Its IUPAC name is 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole.

Molecular Properties

• Compound Name: 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole
• PubChem CID: 159692495
• Molecular Formula: C129H75B3N12O6
• Molecular Weight: 1921.53 g/mol
• Exact Mass: 1920.62
• IUPAC Name: 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole
• SMILES: c1cc2c3c(c1)Oc1ccc(-n4c5ccccc5n5c6ccccc6nc45)cc1B3c1cc(-n3c4ccccc4c4ccccc43)ccc1O2.c1cc2c3c(c1)Oc1ccc(-n4c5ccccc5n5c6ccccc6nc45)cc1B3c1cc(-n3c4ccccc4n4c5ccccc5nc34)ccc1O2.c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc3c1B2c1ccccc1O3
• InChI: InChI=1S/C44H25BN6O2.C43H25BN4O2.C42H25BN2O2/c1-3-12-32-30(10-1)46-43-48(34-14-5-7-16-36(34)50(32)43)26-20-22-38-28(24-26)45-29-25-27(21-23-39(29)53-41-19-9-18-40(52-38)42(41)45)49-35-15-6-8-17-37(35)51-33-13-4-2-11-31(33)47-44(49)51;1-4-13-33-28(10-1)29-11-2-5-14-34(29)46(33)26-20-22-38-30(24-26)44-31-25-27(21-23-39(31)50-41-19-9-18-40(49-38)42(41)44)47-36-16-7-8-17-37(36)48-35-15-6-3-12-32(35)45-43(47)48;1-7-19-34-27(12-1)28-13-2-8-20-35(28)45(34)36-21-11-15-30-29-14-3-6-18-33(29)44(42(30)36)26-24-39-41-40(25-26)47-38-23-10-5-17-32(38)43(41)31-16-4-9-22-37(31)46-39/h1-25H;1-25H;1-25H
• InChIKey: MWPAJYCUONNCMH-UHFFFAOYSA-N
• XLogP: 24.77
• TPSA: 136.86 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1921.53
LogP ≤ 5	24.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole?

The IUPAC name of 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole (CID 159692495) is 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole.

What is the SMILES notation for 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole?

The canonical SMILES for 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole is c1cc2c3c(c1)Oc1ccc(-n4c5ccccc5n5c6ccccc6nc45)cc1B3c1cc(-n3c4ccccc4c4ccccc43)ccc1O2.c1cc2c3c(c1)Oc1ccc(-n4c5ccccc5n5c6ccccc6nc45)cc1B3c1cc(-n3c4ccccc4n4c5ccccc5nc34)ccc1O2.c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc3c1B2c1ccccc1O3.

What is the InChIKey of 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole?

The InChIKey is MWPAJYCUONNCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25BN6O2.C43H25BN4O2.C42H25BN2O2/c1-3-12-32-30(10-1)46-43-48(34-14-5-7-16-36(34)50(32)43)26-20-22-38-28(24-26)45-29-25-27(21-23-39(29)53-41-19-9-18-40(52-38)42(41)45)49-35-15-6-8-17-37(35)51-33-13-4-2-11-31(33)47-44(49)51;1-4-13-33-28(10-1)29-11-2-5-14-34(29)46(33)26-20-22-38-30(24-26)44-31-25-27(21-23-39(31)50-41-19-9-18-40(49-38)42(41)44)47-36-16-7-8-17-37(36)48-35-15-6-3-12-32(35)45-43(47)48;1-7-19-34-27(12-1)28-13-2-8-20-35(28)45(34)36-21-11-15-30-29-14-3-6-18-33(29)44(42(30)36)26-24-39-41-40(25-26)47-38-23-10-5-17-32(38)43(41)31-16-4-9-22-37(31)46-39/h1-25H;1-25H;1-25H.

What are the key properties of 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole?

5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole has a molecular weight of 1921.53 g/mol, XLogP of 24.77, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole is sourced from PubChem (CID 159692495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).