12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene

C62H40B2N8 — CID 174102230

About 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene

12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene (PubChem CID 174102230) has the molecular formula C62H40B2N8 and a molecular weight of 918.68 g/mol. Its IUPAC name is 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene.

Molecular Properties

• Compound Name: 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene
• PubChem CID: 174102230
• Molecular Formula: C62H40B2N8
• Molecular Weight: 918.68 g/mol
• Exact Mass: 918.36
• IUPAC Name: 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene
• SMILES: c1ccc(-c2ccc3c(c2)N(c2ccccc2)c2cccc4c2B3c2cc3c(nc2N4c2ccccc2)N(c2ccccc2)c2nc(-c4ccccc4)nc4c2B3c2cnccc2N4c2ccccc2)cc1
• InChI: InChI=1S/C62H40B2N8/c1-7-20-41(21-8-1)43-34-35-48-55(38-43)69(44-24-11-3-12-25-44)53-32-19-33-54-56(53)63(48)49-39-50-60(68-59(49)71(54)46-28-15-5-16-29-46)72(47-30-17-6-18-31-47)62-57-61(66-58(67-62)42-22-9-2-10-23-42)70(45-26-13-4-14-27-45)52-36-37-65-40-51(52)64(50)57/h1-40H
• InChIKey: ZRXYCXRRESDDEP-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 64.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.68
LogP ≤ 5	10.77
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 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene?

The IUPAC name of 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene (CID 174102230) is 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene.

What is the SMILES notation for 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene?

The canonical SMILES for 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene is c1ccc(-c2ccc3c(c2)N(c2ccccc2)c2cccc4c2B3c2cc3c(nc2N4c2ccccc2)N(c2ccccc2)c2nc(-c4ccccc4)nc4c2B3c2cnccc2N4c2ccccc2)cc1.

What is the InChIKey of 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene?

The InChIKey is ZRXYCXRRESDDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40B2N8/c1-7-20-41(21-8-1)43-34-35-48-55(38-43)69(44-24-11-3-12-25-44)53-32-19-33-54-56(53)63(48)49-39-50-60(68-59(49)71(54)46-28-15-5-16-29-46)72(47-30-17-6-18-31-47)62-57-61(66-58(67-62)42-22-9-2-10-23-42)70(45-26-13-4-14-27-45)52-36-37-65-40-51(52)64(50)57/h1-40H.

What are the key properties of 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene?

12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene has a molecular weight of 918.68 g/mol, XLogP of 10.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 12,15,18,22,28,31-hexakis-phenyl-8,12,14,16,18,20,22,28-octaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene is sourced from PubChem (CID 174102230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).