2-(2,6-diphenylphenyl)-30,30-dimethyl-2,16-diaza-30-sila-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

C50H36B2N2Si — CID 164813859

About 2-(2,6-diphenylphenyl)-30,30-dimethyl-2,16-diaza-30-sila-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-dimethyl-2,16-diaza-30-sila-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 164813859) has the molecular formula C50H36B2N2Si and a molecular weight of 714.56 g/mol. Its IUPAC name is 2-(2,6-diphenylphenyl)-30,30-dimethyl-2,16-diaza-30-sila-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-dimethyl-2,16-diaza-30-sila-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: 164813859
• Molecular Formula: C50H36B2N2Si
• Molecular Weight: 714.56 g/mol
• Exact Mass: 714.28
• IUPAC Name: 2-(2,6-diphenylphenyl)-30,30-dimethyl-2,16-diaza-30-sila-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: C[Si]1(C)c2ccccc2B2c3ccccc3N3c4ccccc4B4c5ccccc5N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5cc1c2c3c54
• InChI: InChI=1S/C50H36B2N2Si/c1-55(2)45-31-16-12-27-40(45)52-39-26-11-14-29-42(39)53-41-28-13-9-24-37(41)51-38-25-10-15-30-43(38)54(44-32-46(55)48(52)50(53)47(44)51)49-35(33-18-5-3-6-19-33)22-17-23-36(49)34-20-7-4-8-21-34/h3-32H,1-2H3
• InChIKey: UTWNDCLWXOQSLI-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.56
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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)-30,30-dimethyl-2,16-diaza-30-sila-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-dimethyl-2,16-diaza-30-sila-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 164813859) is 2-(2,6-diphenylphenyl)-30,30-dimethyl-2,16-diaza-30-sila-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-dimethyl-2,16-diaza-30-sila-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-dimethyl-2,16-diaza-30-sila-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 C[Si]1(C)c2ccccc2B2c3ccccc3N3c4ccccc4B4c5ccccc5N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5cc1c2c3c54.

What is the InChIKey of 2-(2,6-diphenylphenyl)-30,30-dimethyl-2,16-diaza-30-sila-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 UTWNDCLWXOQSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36B2N2Si/c1-55(2)45-31-16-12-27-40(45)52-39-26-11-14-29-42(39)53-41-28-13-9-24-37(41)51-38-25-10-15-30-43(38)54(44-32-46(55)48(52)50(53)47(44)51)49-35(33-18-5-3-6-19-33)22-17-23-36(49)34-20-7-4-8-21-34/h3-32H,1-2H3.

What are the key properties of 2-(2,6-diphenylphenyl)-30,30-dimethyl-2,16-diaza-30-sila-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-dimethyl-2,16-diaza-30-sila-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 714.56 g/mol, XLogP of 7.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diphenylphenyl)-30,30-dimethyl-2,16-diaza-30-sila-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 164813859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).