9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene

C45H33BN2Si — CID 174127767

About 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene

9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene (PubChem CID 174127767) has the molecular formula C45H33BN2Si and a molecular weight of 640.67 g/mol. Its IUPAC name is 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene.

Molecular Properties

• Compound Name: 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene
• PubChem CID: 174127767
• Molecular Formula: C45H33BN2Si
• Molecular Weight: 640.67 g/mol
• Exact Mass: 640.25
• IUPAC Name: 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene
• SMILES: CC1(C)c2ccccc2-c2cc3c4c(c21)-n1c2cc5ccccc5cc2c2cccc(c21)B4N1c2ccccc2[Si](C)(C)c2cccc-3c21
• InChI: InChI=1S/C45H33BN2Si/c1-45(2)34-18-8-7-15-28(34)32-25-33-30-17-12-22-39-43(30)48(36-20-9-10-21-38(36)49(39,3)4)46-35-19-11-16-29-31-23-26-13-5-6-14-27(26)24-37(31)47(42(29)35)44(40(32)45)41(33)46/h5-25H,1-4H3
• InChIKey: GDKMLIIRVDLRER-UHFFFAOYSA-N
• XLogP: 8.62
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.67
LogP ≤ 5	8.62
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 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene?

The IUPAC name of 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene (CID 174127767) is 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene.

What is the SMILES notation for 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene?

The canonical SMILES for 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene is CC1(C)c2ccccc2-c2cc3c4c(c21)-n1c2cc5ccccc5cc2c2cccc(c21)B4N1c2ccccc2[Si](C)(C)c2cccc-3c21.

What is the InChIKey of 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene?

The InChIKey is GDKMLIIRVDLRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33BN2Si/c1-45(2)34-18-8-7-15-28(34)32-25-33-30-17-12-22-39-43(30)48(36-20-9-10-21-38(36)49(39,3)4)46-35-19-11-16-29-31-23-26-13-5-6-14-27(26)24-37(31)47(42(29)35)44(40(32)45)41(33)46/h5-25H,1-4H3.

What are the key properties of 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene?

9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene has a molecular weight of 640.67 g/mol, XLogP of 8.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9,24,24-tetramethyl-2,27-diaza-9-sila-1-boradodecacyclo[24.16.1.12,10.127,38.03,8.015,43.017,25.018,23.028,37.030,35.014,45.042,44]pentatetraconta-3,5,7,10,12,14(45),15,17(25),18,20,22,26(43),28,30,32,34,36,38,40,42(44)-icosaene is sourced from PubChem (CID 174127767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).