22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C125H74B4F3N7O8 — CID 157289276

About 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 157289276) has the molecular formula C125H74B4F3N7O8 and a molecular weight of 1902.25 g/mol. Its IUPAC name is 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 157289276
• Molecular Formula: C125H74B4F3N7O8
• Molecular Weight: 1902.25 g/mol
• Exact Mass: 1901.59
• IUPAC Name: 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: CC(C)c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1N4c1ccccc1)O2.FC(F)(F)c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1N4c1ccccc1)O2.N#Cc1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1N4c1ccccc1)O2.c1ccc(N2c3cccc4c3B3c5c(cc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5Oc5cccc2c53)O4)cc1
• InChI: InChI=1S/C48H28BN3O2.C27H20BNO2.C25H13BF3NO2.C25H13BN2O2/c1-3-13-29(14-4-1)50-38-21-11-23-40-45(38)49-46-39(50)22-12-24-41(46)54-43-28-31(27-42(53-40)47(43)49)51-36-20-10-8-18-34(36)44-37(51)26-25-33-32-17-7-9-19-35(32)52(48(33)44)30-15-5-2-6-16-30;1-16(2)17-14-23-27-24(15-17)31-22-13-7-11-20-26(22)28(27)25-19(10-6-12-21(25)30-23)29(20)18-8-4-3-5-9-18;27-25(28,29)14-12-20-24-21(13-14)32-19-11-5-9-17-23(19)26(24)22-16(8-4-10-18(22)31-20)30(17)15-6-2-1-3-7-15;27-14-15-12-21-25-22(13-15)30-20-11-5-9-18-24(20)26(25)23-17(8-4-10-19(23)29-21)28(18)16-6-2-1-3-7-16/h1-28H;3-16H,1-2H3;1-13H;1-13H
• InChIKey: BAPNFKHDSUWIIW-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 120.45 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1902.25
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 157289276) is 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is CC(C)c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1N4c1ccccc1)O2.FC(F)(F)c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1N4c1ccccc1)O2.N#Cc1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1N4c1ccccc1)O2.c1ccc(N2c3cccc4c3B3c5c(cc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5Oc5cccc2c53)O4)cc1.

What is the InChIKey of 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is BAPNFKHDSUWIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28BN3O2.C27H20BNO2.C25H13BF3NO2.C25H13BN2O2/c1-3-13-29(14-4-1)50-38-21-11-23-40-45(38)49-46-39(50)22-12-24-41(46)54-43-28-31(27-42(53-40)47(43)49)51-36-20-10-8-18-34(36)44-37(51)26-25-33-32-17-7-9-19-35(32)52(48(33)44)30-15-5-2-6-16-30;1-16(2)17-14-23-27-24(15-17)31-22-13-7-11-20-26(22)28(27)25-19(10-6-12-21(25)30-23)29(20)18-8-4-3-5-9-18;27-25(28,29)14-12-20-24-21(13-14)32-19-11-5-9-17-23(19)26(24)22-16(8-4-10-18(22)31-20)30(17)15-6-2-1-3-7-15;27-14-15-12-21-25-22(13-15)30-20-11-5-9-18-24(20)26(25)23-17(8-4-10-19(23)29-21)28(18)16-6-2-1-3-7-16/h1-28H;3-16H,1-2H3;1-13H;1-13H.

What are the key properties of 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?

22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 1902.25 g/mol, XLogP of 25.00, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-11-carbonitrile;22-phenyl-11-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-propan-2-yl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-(trifluoromethyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 157289276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).