5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene

C31H22N2Si — CID 146824658

About 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene

5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene (PubChem CID 146824658) has the molecular formula C31H22N2Si and a molecular weight of 450.62 g/mol. Its IUPAC name is 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene
• PubChem CID: 146824658
• Molecular Formula: C31H22N2Si
• Molecular Weight: 450.62 g/mol
• Exact Mass: 450.16
• IUPAC Name: 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene
• SMILES: Cc1cc2c(cn1)c1c(c3cnccc32)-c2ccccc2[Si]1(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C31H22N2Si/c1-21-18-26-24-16-17-32-19-27(24)30-25-14-8-9-15-29(25)34(22-10-4-2-5-11-22,23-12-6-3-7-13-23)31(30)28(26)20-33-21/h2-20H,1H3
• InChIKey: SCSQIQVBQHDQED-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.62
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene?

The IUPAC name of 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene (CID 146824658) is 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene.

What is the SMILES notation for 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene?

The canonical SMILES for 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene is Cc1cc2c(cn1)c1c(c3cnccc32)-c2ccccc2[Si]1(c1ccccc1)c1ccccc1.

What is the InChIKey of 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene?

The InChIKey is SCSQIQVBQHDQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2Si/c1-21-18-26-24-16-17-32-19-27(24)30-25-14-8-9-15-29(25)34(22-10-4-2-5-11-22,23-12-6-3-7-13-23)31(30)28(26)20-33-21/h2-20H,1H3.

What are the key properties of 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene?

5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene has a molecular weight of 450.62 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene is sourced from PubChem (CID 146824658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).