11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C58H32B2N4O4 — CID 164943091

About 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 164943091) has the molecular formula C58H32B2N4O4 and a molecular weight of 870.54 g/mol. Its IUPAC name is 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 164943091
• Molecular Formula: C58H32B2N4O4
• Molecular Weight: 870.54 g/mol
• Exact Mass: 870.26
• IUPAC Name: 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: c1ccc2c(c1)Oc1nc(-n3c4ccccc4c4ccccc43)c(-c3c(-n4c5ccccc5c5ccccc54)nc4c5c3Oc3ccccc3B5c3ccccc3O4)c3c1B2c1ccccc1O3
• InChI: InChI=1S/C58H32B2N4O4/c1-9-25-41-33(17-1)34-18-2-10-26-42(34)63(41)55-49(53-51-57(61-55)67-47-31-15-7-23-39(47)59(51)37-21-5-13-29-45(37)65-53)50-54-52-58(62-56(50)64-43-27-11-3-19-35(43)36-20-4-12-28-44(36)64)68-48-32-16-8-24-40(48)60(52)38-22-6-14-30-46(38)66-54/h1-32H
• InChIKey: ZGGBDLCSXABXFG-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 72.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.54
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 164943091) is 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc2c(c1)Oc1nc(-n3c4ccccc4c4ccccc43)c(-c3c(-n4c5ccccc5c5ccccc54)nc4c5c3Oc3ccccc3B5c3ccccc3O4)c3c1B2c1ccccc1O3.

What is the InChIKey of 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is ZGGBDLCSXABXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H32B2N4O4/c1-9-25-41-33(17-1)34-18-2-10-26-42(34)63(41)55-49(53-51-57(61-55)67-47-31-15-7-23-39(47)59(51)37-21-5-13-29-45(37)65-53)50-54-52-58(62-56(50)64-43-27-11-3-19-35(43)36-20-4-12-28-44(36)64)68-48-32-16-8-24-40(48)60(52)38-22-6-14-30-46(38)66-54/h1-32H.

What are the key properties of 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 870.54 g/mol, XLogP of 9.79, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-12-(11-carbazol-9-yl-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-12-yl)-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 164943091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).