7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene

C36H23NSi — CID 174075828

About 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene

7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene (PubChem CID 174075828) has the molecular formula C36H23NSi and a molecular weight of 497.67 g/mol. Its IUPAC name is 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene
• PubChem CID: 174075828
• Molecular Formula: C36H23NSi
• Molecular Weight: 497.67 g/mol
• Exact Mass: 497.16
• IUPAC Name: 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc(-c2cccc3c2c2cccc4c2n3-c2cccc3c2[Si]4(c2ccccc2)c2ccccc2-3)cc1
• InChI: InChI=1S/C36H23NSi/c1-3-12-24(13-4-1)26-17-9-20-30-34(26)29-19-11-23-33-35(29)37(30)31-21-10-18-28-27-16-7-8-22-32(27)38(33,36(28)31)25-14-5-2-6-15-25/h1-23H
• InChIKey: PLCRWSDJMUPJTK-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.67
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene?

The IUPAC name of 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene (CID 174075828) is 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene is c1ccc(-c2cccc3c2c2cccc4c2n3-c2cccc3c2[Si]4(c2ccccc2)c2ccccc2-3)cc1.

What is the InChIKey of 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene?

The InChIKey is PLCRWSDJMUPJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NSi/c1-3-12-24(13-4-1)26-17-9-20-30-34(26)29-19-11-23-33-35(29)37(30)31-21-10-18-28-27-16-7-8-22-32(27)38(33,36(28)31)25-14-5-2-6-15-25/h1-23H.

What are the key properties of 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene?

7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 497.67 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7,14-diphenyl-2-aza-14-silaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 174075828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).