14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene

C80H47B3N4O7 — CID 160769007

About 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene

14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene (PubChem CID 160769007) has the molecular formula C80H47B3N4O7 and a molecular weight of 1208.71 g/mol. Its IUPAC name is 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene.

Molecular Properties

• Compound Name: 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene
• PubChem CID: 160769007
• Molecular Formula: C80H47B3N4O7
• Molecular Weight: 1208.71 g/mol
• Exact Mass: 1208.37
• IUPAC Name: 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene
• SMILES: c1ccc2c(c1)B1Oc3c(-c4cccc5c4oc4ccccc45)cccc3N1c1occc1-2.c1ccc2c(c1)OB1c3ccc(-n4c5ccccc5c5ccccc54)cc3-c3c(oc4ccccc34)N12.c1ccc2c(c1)OB1c3ccccc3-c3c(oc4ccccc34)N12
• InChI: InChI=1S/C32H19BN2O2.C28H16BNO3.C20H12BNO2/c1-4-12-26-21(9-1)22-10-2-5-13-27(22)34(26)20-17-18-25-24(19-20)31-23-11-3-7-15-29(23)36-32(31)35-28-14-6-8-16-30(28)37-33(25)35;1-3-12-23-17(7-1)22-15-16-31-28(22)30-24-13-6-11-21(27(24)33-29(23)30)20-10-5-9-19-18-8-2-4-14-25(18)32-26(19)20;1-3-9-15-13(7-1)19-14-8-2-5-11-17(14)23-20(19)22-16-10-4-6-12-18(16)24-21(15)22/h1-19H;1-16H;1-12H
• InChIKey: RZBGBDJOHWZOJI-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 94.90 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 2
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1208.71
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene?

The IUPAC name of 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene (CID 160769007) is 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene.

What is the SMILES notation for 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene?

The canonical SMILES for 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene is c1ccc2c(c1)B1Oc3c(-c4cccc5c4oc4ccccc45)cccc3N1c1occc1-2.c1ccc2c(c1)OB1c3ccc(-n4c5ccccc5c5ccccc54)cc3-c3c(oc4ccccc34)N12.c1ccc2c(c1)OB1c3ccccc3-c3c(oc4ccccc34)N12.

What is the InChIKey of 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene?

The InChIKey is RZBGBDJOHWZOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19BN2O2.C28H16BNO3.C20H12BNO2/c1-4-12-26-21(9-1)22-10-2-5-13-27(22)34(26)20-17-18-25-24(19-20)31-23-11-3-7-15-29(23)36-32(31)35-28-14-6-8-16-30(28)37-33(25)35;1-3-12-23-17(7-1)22-15-16-31-28(22)30-24-13-6-11-21(27(24)33-29(23)30)20-10-5-9-19-18-8-2-4-14-25(18)32-26(19)20;1-3-9-15-13(7-1)19-14-8-2-5-11-17(14)23-20(19)22-16-10-4-6-12-18(16)24-21(15)22/h1-19H;1-16H;1-12H.

What are the key properties of 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene?

14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene has a molecular weight of 1208.71 g/mol, XLogP of 18.53, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene is sourced from PubChem (CID 160769007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).