5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene

C212H140B4N4 — CID 159350496

About 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene

5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene (PubChem CID 159350496) has the molecular formula C212H140B4N4 and a molecular weight of 2786.73 g/mol. Its IUPAC name is 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene.

Molecular Properties

• Compound Name: 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene
• PubChem CID: 159350496
• Molecular Formula: C212H140B4N4
• Molecular Weight: 2786.73 g/mol
• Exact Mass: 2785.15
• IUPAC Name: 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccccc3B3c5ccccc5-c5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc5N34)c2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)-c3ccccc3B3c5ccccc5-c5cc(-c6ccc(-c7ccccc7)cc6-c6ccccc6)ccc5N34)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccc3c(c2)B2c4ccccc4-c4cc(-c5cccc6ccccc56)ccc4N2c2ccc(-c4cccc5ccccc45)cc2-3)cc1.c1ccc(-c2ccc3c(c2)B2c4ccccc4-c4cc(-c5ccccc5)ccc4N2c2ccc(-c4ccccc4)cc2-3)cc1
• InChI: InChI=1S/2C60H40BN.C50H32BN.C42H28BN/c1-5-17-41(18-6-1)45-29-33-49(53(37-45)43-21-9-3-10-22-43)47-31-35-59-55(39-47)51-25-13-15-27-57(51)61-58-28-16-14-26-52(58)56-40-48(32-36-60(56)62(59)61)50-34-30-46(42-19-7-2-8-20-42)38-54(50)44-23-11-4-12-24-44;1-5-17-41(18-6-1)47-33-48(42-19-7-2-8-20-42)36-51(35-47)45-29-31-59-55(39-45)53-25-13-15-27-57(53)61-58-28-16-14-26-54(58)56-40-46(30-32-60(56)62(59)61)52-37-49(43-21-9-3-10-22-43)34-50(38-52)44-23-11-4-12-24-44;1-2-12-33(13-3-1)36-24-27-44-46-31-38(42-22-11-17-35-15-5-7-19-40(35)42)26-29-50(46)52-49-28-25-37(41-21-10-16-34-14-4-6-18-39(34)41)30-45(49)43-20-8-9-23-47(43)51(52)48(44)32-36;1-4-12-29(13-5-1)32-21-24-41-37(26-32)35-18-10-11-19-39(35)43-40-28-34(31-16-8-3-9-17-31)20-23-36(40)38-27-33(22-25-42(38)44(41)43)30-14-6-2-7-15-30/h2*1-40H;1-32H;1-28H
• InChIKey: LHGOIIYKTHJZON-UHFFFAOYSA-N
• XLogP: 50.68
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2786.73
LogP ≤ 5	50.68
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 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene?

The IUPAC name of 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene (CID 159350496) is 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene.

What is the SMILES notation for 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene?

The canonical SMILES for 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccccc3B3c5ccccc5-c5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc5N34)c2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)-c3ccccc3B3c5ccccc5-c5cc(-c6ccc(-c7ccccc7)cc6-c6ccccc6)ccc5N34)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccc3c(c2)B2c4ccccc4-c4cc(-c5cccc6ccccc56)ccc4N2c2ccc(-c4cccc5ccccc45)cc2-3)cc1.c1ccc(-c2ccc3c(c2)B2c4ccccc4-c4cc(-c5ccccc5)ccc4N2c2ccc(-c4ccccc4)cc2-3)cc1.

What is the InChIKey of 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene?

The InChIKey is LHGOIIYKTHJZON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H40BN.C50H32BN.C42H28BN/c1-5-17-41(18-6-1)45-29-33-49(53(37-45)43-21-9-3-10-22-43)47-31-35-59-55(39-47)51-25-13-15-27-57(51)61-58-28-16-14-26-52(58)56-40-48(32-36-60(56)62(59)61)50-34-30-46(42-19-7-2-8-20-42)38-54(50)44-23-11-4-12-24-44;1-5-17-41(18-6-1)47-33-48(42-19-7-2-8-20-42)36-51(35-47)45-29-31-59-55(39-45)53-25-13-15-27-57(53)61-58-28-16-14-26-54(58)56-40-46(30-32-60(56)62(59)61)52-37-49(43-21-9-3-10-22-43)34-50(38-52)44-23-11-4-12-24-44;1-2-12-33(13-3-1)36-24-27-44-46-31-38(42-22-11-17-35-15-5-7-19-40(35)42)26-29-50(46)52-49-28-25-37(41-21-10-16-34-14-4-6-18-39(34)41)30-45(49)43-20-8-9-23-47(43)51(52)48(44)32-36;1-4-12-29(13-5-1)32-21-24-41-37(26-32)35-18-10-11-19-39(35)43-40-28-34(31-16-8-3-9-17-31)20-23-36(40)38-27-33(22-25-42(38)44(41)43)30-14-6-2-7-15-30/h2*1-40H;1-32H;1-28H.

What are the key properties of 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene?

5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene has a molecular weight of 2786.73 g/mol, XLogP of 50.68, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene is sourced from PubChem (CID 159350496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).