6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene

C84H52BN3O — CID 155637201

About 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene

6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene (PubChem CID 155637201) has the molecular formula C84H52BN3O and a molecular weight of 1130.17 g/mol. Its IUPAC name is 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene.

Molecular Properties

• Compound Name: 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene
• PubChem CID: 155637201
• Molecular Formula: C84H52BN3O
• Molecular Weight: 1130.17 g/mol
• Exact Mass: 1129.42
• IUPAC Name: 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene
• SMILES: c1ccc(-c2ccccc2-c2cc3c(c(-c4ccccc4-c4ccccc4)c2)Oc2cc(-c4ccccc4-c4ccccc4)cc4c2B3c2cc(-n3c5ccccc5c5ccccc53)cc3c5cc(-n6c7ccccc7c7ccccc76)ccc5n-4c23)cc1
• InChI: InChI=1S/C84H52BN3O/c1-4-24-53(25-5-1)60-30-10-12-33-63(60)56-46-72(65-35-15-14-32-62(65)55-28-8-3-9-29-55)84-74(47-56)85-73-52-59(87-77-42-22-18-38-68(77)69-39-19-23-43-78(69)87)51-71-70-50-58(86-75-40-20-16-36-66(75)67-37-17-21-41-76(67)86)44-45-79(70)88(83(71)73)80-48-57(49-81(89-84)82(80)85)64-34-13-11-31-61(64)54-26-6-2-7-27-54/h1-52H
• InChIKey: KPJPRJPIKPRTAV-UHFFFAOYSA-N
• XLogP: 19.92
• TPSA: 24.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.17
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene?

The IUPAC name of 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene (CID 155637201) is 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene.

What is the SMILES notation for 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene?

The canonical SMILES for 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene is c1ccc(-c2ccccc2-c2cc3c(c(-c4ccccc4-c4ccccc4)c2)Oc2cc(-c4ccccc4-c4ccccc4)cc4c2B3c2cc(-n3c5ccccc5c5ccccc53)cc3c5cc(-n6c7ccccc7c7ccccc76)ccc5n-4c23)cc1.

What is the InChIKey of 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene?

The InChIKey is KPJPRJPIKPRTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52BN3O/c1-4-24-53(25-5-1)60-30-10-12-33-63(60)56-46-72(65-35-15-14-32-62(65)55-28-8-3-9-29-55)84-74(47-56)85-73-52-59(87-77-42-22-18-38-68(77)69-39-19-23-43-78(69)87)51-71-70-50-58(86-75-40-20-16-36-66(75)67-37-17-21-41-76(67)86)44-45-79(70)88(83(71)73)80-48-57(49-81(89-84)82(80)85)64-34-13-11-31-61(64)54-26-6-2-7-27-54/h1-52H.

What are the key properties of 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene?

6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene has a molecular weight of 1130.17 g/mol, XLogP of 19.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,11-di(carbazol-9-yl)-17,19,24-tris(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene is sourced from PubChem (CID 155637201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).