11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene

C28H16BN3O2 — CID 164771926

About 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene

11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene (PubChem CID 164771926) has the molecular formula C28H16BN3O2 and a molecular weight of 437.27 g/mol. Its IUPAC name is 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene
• PubChem CID: 164771926
• Molecular Formula: C28H16BN3O2
• Molecular Weight: 437.27 g/mol
• Exact Mass: 437.13
• IUPAC Name: 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene
• SMILES: c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)nc3c1B2Oc1cccnc1-3
• InChI: InChI=1S/C28H16BN3O2/c1-4-11-20-17(8-1)18-9-2-5-12-21(18)32(20)25-16-24-26-28(31-25)27-23(14-7-15-30-27)34-29(26)19-10-3-6-13-22(19)33-24/h1-16H
• InChIKey: LJWJRSVWYOVDJT-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.27
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene?

The IUPAC name of 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene (CID 164771926) is 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene.

What is the SMILES notation for 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene?

The canonical SMILES for 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene is c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)nc3c1B2Oc1cccnc1-3.

What is the InChIKey of 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene?

The InChIKey is LJWJRSVWYOVDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16BN3O2/c1-4-11-20-17(8-1)18-9-2-5-12-21(18)32(20)25-16-24-26-28(31-25)27-23(14-7-15-30-27)34-29(26)19-10-3-6-13-22(19)33-24/h1-16H.

What are the key properties of 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene?

11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene has a molecular weight of 437.27 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-8,20-dioxa-12,15-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene is sourced from PubChem (CID 164771926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).