2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene)

C224H146B8N8P2 — CID 165031027

About 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene)

2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene) (PubChem CID 165031027) has the molecular formula C224H146B8N8P2 and a molecular weight of 3098.13 g/mol. Its IUPAC name is 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene).

Molecular Properties

• Compound Name: 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene)
• PubChem CID: 165031027
• Molecular Formula: C224H146B8N8P2
• Molecular Weight: 3098.13 g/mol
• Exact Mass: 3097.19
• IUPAC Name: 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene)
• SMILES: c1ccc(-c2cc(-c3ccccc3)c(N3c4ccccc4B4c5ccccc5N5c6ccccc6B6c7ccccc7C(c7ccccc7)(c7ccccc7)c7cc3c4c5c76)c(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6C(c6ccccc6)(c6ccccc6)c6cc2c3c4c65)cc1.c1ccc(-c2ccccc2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6P(c6ccccc6)c6cc2c3c4c65)cc1.c1ccc(-c2ccccc2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6P(c6ccccc6)c6cc2c3c4c65)cc1
• InChI: InChI=1S/C67H44B2N2.C61H40B2N2.2C48H31B2N2P/c1-6-24-45(25-7-1)48-42-51(46-26-8-2-9-27-46)65(52(43-48)47-28-10-3-11-29-47)71-61-41-23-20-38-58(61)69-57-37-19-22-40-60(57)70-59-39-21-18-36-56(59)68-55-35-17-16-34-53(55)67(49-30-12-4-13-31-49,50-32-14-5-15-33-50)54-44-62(71)64(69)66(70)63(54)68;1-5-22-41(23-6-1)45-30-21-31-46(42-24-7-2-8-25-42)59(45)65-55-39-20-17-36-52(55)63-51-35-16-19-38-54(51)64-53-37-18-15-34-50(53)62-49-33-14-13-32-47(49)61(43-26-9-3-10-27-43,44-28-11-4-12-29-44)48-40-56(65)58(63)60(64)57(48)62;2*1-3-17-32(18-4-1)34-21-7-12-26-39(34)51-40-27-13-8-22-35(40)49-36-23-9-14-28-41(36)52-42-29-15-10-24-37(42)50-38-25-11-16-30-44(38)53(33-19-5-2-6-20-33)45-31-43(51)46(49)48(52)47(45)50/h1-44H;1-40H;2*1-31H
• InChIKey: MQTCMWJTEKZGJL-UHFFFAOYSA-N
• XLogP: 35.60
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3098.13
LogP ≤ 5	35.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene)?

The IUPAC name of 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene) (CID 165031027) is 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene).

What is the SMILES notation for 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene)?

The canonical SMILES for 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene) is c1ccc(-c2cc(-c3ccccc3)c(N3c4ccccc4B4c5ccccc5N5c6ccccc6B6c7ccccc7C(c7ccccc7)(c7ccccc7)c7cc3c4c5c76)c(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6C(c6ccccc6)(c6ccccc6)c6cc2c3c4c65)cc1.c1ccc(-c2ccccc2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6P(c6ccccc6)c6cc2c3c4c65)cc1.c1ccc(-c2ccccc2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6P(c6ccccc6)c6cc2c3c4c65)cc1.

What is the InChIKey of 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene)?

The InChIKey is MQTCMWJTEKZGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44B2N2.C61H40B2N2.2C48H31B2N2P/c1-6-24-45(25-7-1)48-42-51(46-26-8-2-9-27-46)65(52(43-48)47-28-10-3-11-29-47)71-61-41-23-20-38-58(61)69-57-37-19-22-40-60(57)70-59-39-21-18-36-56(59)68-55-35-17-16-34-53(55)67(49-30-12-4-13-31-49,50-32-14-5-15-33-50)54-44-62(71)64(69)66(70)63(54)68;1-5-22-41(23-6-1)45-30-21-31-46(42-24-7-2-8-25-42)59(45)65-55-39-20-17-36-52(55)63-51-35-16-19-38-54(51)64-53-37-18-15-34-50(53)62-49-33-14-13-32-47(49)61(43-26-9-3-10-27-43,44-28-11-4-12-29-44)48-40-56(65)58(63)60(64)57(48)62;2*1-3-17-32(18-4-1)34-21-7-12-26-39(34)51-40-27-13-8-22-35(40)49-36-23-9-14-28-41(36)52-42-29-15-10-24-37(42)50-38-25-11-16-30-44(38)53(33-19-5-2-6-20-33)45-31-43(51)46(49)48(52)47(45)50/h1-44H;1-40H;2*1-31H.

What are the key properties of 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene)?

2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene) has a molecular weight of 3098.13 g/mol, XLogP of 35.60, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diphenylphenyl)-30,30-diphenyl-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;30,30-diphenyl-2-(2,4,6-triphenylphenyl)-2,16-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene;bis(30-phenyl-2-(2-phenylphenyl)-2,16-diaza-30-phospha-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene) is sourced from PubChem (CID 165031027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).