16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene

C150H88B3N11O — CID 157196030

About 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene

16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene (PubChem CID 157196030) has the molecular formula C150H88B3N11O and a molecular weight of 2092.87 g/mol. Its IUPAC name is 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene.

Molecular Properties

• Compound Name: 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene
• PubChem CID: 157196030
• Molecular Formula: C150H88B3N11O
• Molecular Weight: 2092.87 g/mol
• Exact Mass: 2091.75
• IUPAC Name: 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(B3c4ccccc4-c4ccc5c6cccnc6c6ncccc6c5c43)cc2)cc1.c1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1)c1c-2ccc2c3cccnc3c3ncccc3c12.c1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)cc1)c1c-2ccc2c3cccnc3c3ncccc3c12
• InChI: InChI=1S/2C52H31BN4.C46H26BN3O/c1-5-17-44-35(11-1)40-27-26-39-41-15-9-29-54-51(41)52-42(16-10-30-55-52)49(39)50(40)53(44)32-21-23-33(24-22-32)56-47-20-8-4-14-38(47)43-31-34(25-28-48(43)56)57-45-18-6-2-12-36(45)37-13-3-7-19-46(37)57;1-2-12-33(13-3-1)56-45-20-8-5-15-36(45)42-31-48-43(30-47(42)56)37-16-6-9-21-46(37)57(48)34-24-22-32(23-25-34)53-44-19-7-4-14-35(44)39-27-26-38-40-17-10-28-54-51(40)52-41(18-11-29-55-52)49(38)50(39)53;1-4-14-38-29(9-1)33-22-21-32-34-12-7-23-48-45(34)46-35(13-8-24-49-46)43(32)44(33)47(38)27-17-19-28(20-18-27)50-39-15-5-2-10-30(39)36-26-42-37(25-40(36)50)31-11-3-6-16-41(31)51-42/h2*1-31H;1-26H
• InChIKey: AQGLKSBJGVRAQT-UHFFFAOYSA-N
• XLogP: 30.68
• TPSA: 115.13 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.87
LogP ≤ 5	30.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene?

The IUPAC name of 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene (CID 157196030) is 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene.

What is the SMILES notation for 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene?

The canonical SMILES for 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(B3c4ccccc4-c4ccc5c6cccnc6c6ncccc6c5c43)cc2)cc1.c1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1)c1c-2ccc2c3cccnc3c3ncccc3c12.c1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)cc1)c1c-2ccc2c3cccnc3c3ncccc3c12.

What is the InChIKey of 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene?

The InChIKey is AQGLKSBJGVRAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H31BN4.C46H26BN3O/c1-5-17-44-35(11-1)40-27-26-39-41-15-9-29-54-51(41)52-42(16-10-30-55-52)49(39)50(40)53(44)32-21-23-33(24-22-32)56-47-20-8-4-14-38(47)43-31-34(25-28-48(43)56)57-45-18-6-2-12-36(45)37-13-3-7-19-46(37)57;1-2-12-33(13-3-1)56-45-20-8-5-15-36(45)42-31-48-43(30-47(42)56)37-16-6-9-21-46(37)57(48)34-24-22-32(23-25-34)53-44-19-7-4-14-35(44)39-27-26-38-40-17-10-28-54-51(40)52-41(18-11-29-55-52)49(38)50(39)53;1-4-14-38-29(9-1)33-22-21-32-34-12-7-23-48-45(34)46-35(13-8-24-49-46)43(32)44(33)47(38)27-17-19-28(20-18-27)50-39-15-5-2-10-30(39)36-26-42-37(25-40(36)50)31-11-3-6-16-41(31)51-42/h2*1-31H;1-26H.

What are the key properties of 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene?

16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene has a molecular weight of 2092.87 g/mol, XLogP of 30.68, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;11-[4-(6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaen-16-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;16-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-6,9-diaza-16-borahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene is sourced from PubChem (CID 157196030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).