9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole

C122H75B3N6O6 — CID 159275316

About 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole

9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole (PubChem CID 159275316) has the molecular formula C122H75B3N6O6 and a molecular weight of 1753.41 g/mol. Its IUPAC name is 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole.

Molecular Properties

• Compound Name: 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole
• PubChem CID: 159275316
• Molecular Formula: C122H75B3N6O6
• Molecular Weight: 1753.41 g/mol
• Exact Mass: 1752.60
• IUPAC Name: 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole
• SMILES: c1cc2c3c(c1)Oc1cc(-n4c5ccccc5c5ccccc54)ccc1B3c1ccc(-n3c4ccccc4c4ccccc43)cc1O2.c1cc2c3c(c1)Oc1ccc(-n4ccc5ccccc54)cc1B3c1cc(-n3ccc4ccccc43)ccc1O2.c1ccc(-n2c(-c3ccc4c(c3)B3c5cc(-c6cc7ccccc7n6-c6ccccc6)ccc5Oc5cccc(c53)O4)cc3ccccc32)cc1
• InChI: InChI=1S/C46H29BN2O2.C42H25BN2O2.C34H21BN2O2/c1-3-14-34(15-4-1)48-38-18-9-7-12-30(38)28-40(48)32-22-24-42-36(26-32)47-37-27-33(23-25-43(37)51-45-21-11-20-44(50-42)46(45)47)41-29-31-13-8-10-19-39(31)49(41)35-16-5-2-6-17-35;1-5-14-34-28(10-1)29-11-2-6-15-35(29)44(34)26-20-22-32-40(24-26)46-38-18-9-19-39-42(38)43(32)33-23-21-27(25-41(33)47-39)45-36-16-7-3-12-30(36)31-13-4-8-17-37(31)45;1-3-8-28-22(6-1)16-18-36(28)24-12-14-30-26(20-24)35-27-21-25(37-19-17-23-7-2-4-9-29(23)37)13-15-31(27)39-33-11-5-10-32(38-30)34(33)35/h1-29H;1-25H;1-21H
• InChIKey: KYFSCECFLOTBMY-UHFFFAOYSA-N
• XLogP: 24.55
• TPSA: 84.96 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1753.41
LogP ≤ 5	24.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole?

The IUPAC name of 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole (CID 159275316) is 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole.

What is the SMILES notation for 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole?

The canonical SMILES for 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole is c1cc2c3c(c1)Oc1cc(-n4c5ccccc5c5ccccc54)ccc1B3c1ccc(-n3c4ccccc4c4ccccc43)cc1O2.c1cc2c3c(c1)Oc1ccc(-n4ccc5ccccc54)cc1B3c1cc(-n3ccc4ccccc43)ccc1O2.c1ccc(-n2c(-c3ccc4c(c3)B3c5cc(-c6cc7ccccc7n6-c6ccccc6)ccc5Oc5cccc(c53)O4)cc3ccccc32)cc1.

What is the InChIKey of 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole?

The InChIKey is KYFSCECFLOTBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29BN2O2.C42H25BN2O2.C34H21BN2O2/c1-3-14-34(15-4-1)48-38-18-9-7-12-30(38)28-40(48)32-22-24-42-36(26-32)47-37-27-33(23-25-43(37)51-45-21-11-20-44(50-42)46(45)47)41-29-31-13-8-10-19-39(31)49(41)35-16-5-2-6-17-35;1-5-14-34-28(10-1)29-11-2-6-15-35(29)44(34)26-20-22-32-40(24-26)46-38-18-9-19-39-42(38)43(32)33-23-21-27(25-41(33)47-39)45-36-16-7-3-12-30(36)31-13-4-8-17-37(31)45;1-3-8-28-22(6-1)16-18-36(28)24-12-14-30-26(20-24)35-27-21-25(37-19-17-23-7-2-4-9-29(23)37)13-15-31(27)39-33-11-5-10-32(38-30)34(33)35/h1-29H;1-25H;1-21H.

What are the key properties of 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole?

9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole has a molecular weight of 1753.41 g/mol, XLogP of 24.55, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(17-carbazol-9-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-5-yl)carbazole;1-(18-indol-1-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)indole;1-phenyl-2-[18-(1-phenylindol-2-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]indole is sourced from PubChem (CID 159275316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).