5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole

C66H35B2N3O5 — CID 153490971

About 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole

5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole (PubChem CID 153490971) has the molecular formula C66H35B2N3O5 and a molecular weight of 971.65 g/mol. Its IUPAC name is 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole
• PubChem CID: 153490971
• Molecular Formula: C66H35B2N3O5
• Molecular Weight: 971.65 g/mol
• Exact Mass: 971.28
• IUPAC Name: 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole
• SMILES: c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cc6c7c(c5)Oc5cc(-n8c9ccccc9c9ccccc98)cc8c5B7c5c(cccc5O6)O8)c43)cc3c1B2c1ccccc1O3
• InChI: InChI=1S/C66H35B2N3O5/c1-7-20-46-39(14-1)40-15-2-8-21-47(40)69(46)36-30-57-64-59(31-36)76-60-33-37(32-58-65(60)68(64)62-53(74-57)26-13-27-54(62)75-58)70-49-23-10-4-17-43(49)61-50(70)29-28-42-41-16-3-9-22-48(41)71(66(42)61)38-34-55-63-56(35-38)73-52-25-12-6-19-45(52)67(63)44-18-5-11-24-51(44)72-55/h1-35H
• InChIKey: JASGDGWQAMOSDF-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 60.94 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.65
LogP ≤ 5	12.54
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 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole?

The IUPAC name of 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole (CID 153490971) is 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole.

What is the SMILES notation for 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole?

The canonical SMILES for 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole is c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cc6c7c(c5)Oc5cc(-n8c9ccccc9c9ccccc98)cc8c5B7c5c(cccc5O6)O8)c43)cc3c1B2c1ccccc1O3.

What is the InChIKey of 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole?

The InChIKey is JASGDGWQAMOSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H35B2N3O5/c1-7-20-46-39(14-1)40-15-2-8-21-47(40)69(46)36-30-57-64-59(31-36)76-60-33-37(32-58-65(60)68(64)62-53(74-57)26-13-27-54(62)75-58)70-49-23-10-4-17-43(49)61-50(70)29-28-42-41-16-3-9-22-48(41)71(66(42)61)38-34-55-63-56(35-38)73-52-25-12-6-19-45(52)67(63)44-18-5-11-24-51(44)72-55/h1-35H.

What are the key properties of 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole?

5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole has a molecular weight of 971.65 g/mol, XLogP of 12.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 153490971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).