18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene

C48H33NSi — CID 140872102

About 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene

18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene (PubChem CID 140872102) has the molecular formula C48H33NSi and a molecular weight of 651.89 g/mol. Its IUPAC name is 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene.

Molecular Properties

• Compound Name: 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
• PubChem CID: 140872102
• Molecular Formula: C48H33NSi
• Molecular Weight: 651.89 g/mol
• Exact Mass: 651.24
• IUPAC Name: 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
• SMILES: c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)cc4c2N3c2ccccc2-c2ccccc2-4)cc1
• InChI: InChI=1S/C48H33NSi/c1-5-17-34(18-6-1)36-29-30-45-46(32-36)50(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47-33-37(35-19-7-2-8-20-35)31-43-41-26-14-13-25-40(41)42-27-15-16-28-44(42)49(45)48(43)47/h1-33H
• InChIKey: JXZFEHQBWZNLAS-UHFFFAOYSA-N
• XLogP: 9.83
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.89
LogP ≤ 5	9.83
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 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

The IUPAC name of 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene (CID 140872102) is 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene.

What is the SMILES notation for 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

The canonical SMILES for 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene is c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)cc4c2N3c2ccccc2-c2ccccc2-4)cc1.

What is the InChIKey of 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

The InChIKey is JXZFEHQBWZNLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NSi/c1-5-17-34(18-6-1)36-29-30-45-46(32-36)50(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47-33-37(35-19-7-2-8-20-35)31-43-41-26-14-13-25-40(41)42-27-15-16-28-44(42)49(45)48(43)47/h1-33H.

What are the key properties of 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene has a molecular weight of 651.89 g/mol, XLogP of 9.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene is sourced from PubChem (CID 140872102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).