2-(2,6-diphenylphenyl)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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

C205H133B8N11 — CID 165073722

About 2-(2,6-diphenylphenyl)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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 165073722) has the molecular formula C205H133B8N11 and a molecular weight of 2836.89 g/mol. Its IUPAC name is 2-(2,6-diphenylphenyl)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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: 165073722
• Molecular Formula: C205H133B8N11
• Molecular Weight: 2836.89 g/mol
• Exact Mass: 2836.15
• IUPAC Name: 2-(2,6-diphenylphenyl)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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(-c2ccc(-c3ccccc3)c(N3c4ccccc4B4c5ccccc5N5c6ccccc6B6c7ccccc7N(c7ccccc7)c7cc3c4c5c76)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6Cc6cc2c3c4c65)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cc2c3c4c65)cc1.c1ccc(-c2ccccc2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cc2c3c4c65)cc1
• InChI: InChI=1S/2C54H35B2N3.C49H32B2N2.C48H31B2N3/c1-4-19-36(20-5-1)39-25-18-26-40(37-21-6-2-7-22-37)53(39)59-48-34-17-13-30-44(48)56-43-29-12-16-33-47(43)58-46-32-15-11-28-42(46)55-41-27-10-14-31-45(41)57(38-23-8-3-9-24-38)49-35-50(59)52(56)54(58)51(49)55;1-4-18-36(19-5-1)38-32-33-40(37-20-6-2-7-21-37)49(34-38)58-46-29-15-11-25-42(46)56-44-27-13-17-31-48(44)59-47-30-16-12-26-43(47)55-41-24-10-14-28-45(41)57(39-22-8-3-9-23-39)50-35-51(58)53(56)54(59)52(50)55;1-3-16-32(17-4-1)36-21-15-22-37(33-18-5-2-6-19-33)48(36)53-44-29-14-11-26-41(44)51-40-25-10-13-28-43(40)52-42-27-12-9-24-39(42)50-38-23-8-7-20-34(38)30-35-31-45(53)47(51)49(52)46(35)50;1-3-17-32(18-4-1)34-21-7-12-26-39(34)52-41-28-14-9-23-36(41)50-38-25-11-16-30-43(38)53-42-29-15-10-24-37(42)49-35-22-8-13-27-40(35)51(33-19-5-2-6-20-33)44-31-45(52)47(50)48(53)46(44)49/h2*1-35H;1-29,31H,30H2;1-31H
• InChIKey: TYMJIDRFEHCUJD-UHFFFAOYSA-N
• XLogP: 35.32
• TPSA: 35.64 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2836.89
LogP ≤ 5	35.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylphenyl)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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 165073722) is 2-(2,6-diphenylphenyl)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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(-c2ccc(-c3ccccc3)c(N3c4ccccc4B4c5ccccc5N5c6ccccc6B6c7ccccc7N(c7ccccc7)c7cc3c4c5c76)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6Cc6cc2c3c4c65)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cc2c3c4c65)cc1.c1ccc(-c2ccccc2N2c3ccccc3B3c4ccccc4N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cc2c3c4c65)cc1.

What is the InChIKey of 2-(2,6-diphenylphenyl)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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 TYMJIDRFEHCUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H35B2N3.C49H32B2N2.C48H31B2N3/c1-4-19-36(20-5-1)39-25-18-26-40(37-21-6-2-7-22-37)53(39)59-48-34-17-13-30-44(48)56-43-29-12-16-33-47(43)58-46-32-15-11-28-42(46)55-41-27-10-14-31-45(41)57(38-23-8-3-9-24-38)49-35-50(59)52(56)54(58)51(49)55;1-4-18-36(19-5-1)38-32-33-40(37-20-6-2-7-21-37)49(34-38)58-46-29-15-11-25-42(46)56-44-27-13-17-31-48(44)59-47-30-16-12-26-43(47)55-41-24-10-14-28-45(41)57(39-22-8-3-9-23-39)50-35-51(58)53(56)54(59)52(50)55;1-3-16-32(17-4-1)36-21-15-22-37(33-18-5-2-6-19-33)48(36)53-44-29-14-11-26-41(44)51-40-25-10-13-28-43(40)52-42-27-12-9-24-39(42)50-38-23-8-7-20-34(38)30-35-31-45(53)47(51)49(52)46(35)50;1-3-17-32(18-4-1)34-21-7-12-26-39(34)52-41-28-14-9-23-36(41)50-38-25-11-16-30-43(38)53-42-29-15-10-24-37(42)49-35-22-8-13-27-40(35)51(33-19-5-2-6-20-33)44-31-45(52)47(50)48(53)46(44)49/h2*1-35H;1-29,31H,30H2;1-31H.

What are the key properties of 2-(2,6-diphenylphenyl)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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 2836.89 g/mol, XLogP of 35.32, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diphenylphenyl)-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;2-(2,5-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-(2,6-diphenylphenyl)-30-phenyl-2,16,30-triaza-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;2-phenyl-30-(2-phenylphenyl)-2,16,30-triaza-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 165073722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).