(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane

C35H30N2Si — CID 140880032

About (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane

(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane (PubChem CID 140880032) has the molecular formula C35H30N2Si and a molecular weight of 506.73 g/mol. Its IUPAC name is (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane.

Molecular Properties

• Compound Name: (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane
• PubChem CID: 140880032
• Molecular Formula: C35H30N2Si
• Molecular Weight: 506.73 g/mol
• Exact Mass: 506.22
• IUPAC Name: (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc2c(c1)-c1c(n(-c3ccccc3)c3ccccc13)-c1ccccc1N2c1ccccc1
• InChI: InChI=1S/C35H30N2Si/c1-38(2,3)27-22-23-33-30(24-27)34-28-18-10-12-20-31(28)37(26-16-8-5-9-17-26)35(34)29-19-11-13-21-32(29)36(33)25-14-6-4-7-15-25/h4-24H,1-3H3
• InChIKey: VHTLRVXEOWJPSB-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.73
LogP ≤ 5	9.29
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 (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane?

The IUPAC name of (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane (CID 140880032) is (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane.

What is the SMILES notation for (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane?

The canonical SMILES for (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane is C[Si](C)(C)c1ccc2c(c1)-c1c(n(-c3ccccc3)c3ccccc13)-c1ccccc1N2c1ccccc1.

What is the InChIKey of (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane?

The InChIKey is VHTLRVXEOWJPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2Si/c1-38(2,3)27-22-23-33-30(24-27)34-28-18-10-12-20-31(28)37(26-16-8-5-9-17-26)35(34)29-19-11-13-21-32(29)36(33)25-14-6-4-7-15-25/h4-24H,1-3H3.

What are the key properties of (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane?

(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane has a molecular weight of 506.73 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane is sourced from PubChem (CID 140880032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).