triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane

C48H34N2Si — CID 90222904

About triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane

triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane (PubChem CID 90222904) has the molecular formula C48H34N2Si and a molecular weight of 666.90 g/mol. Its IUPAC name is triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane
• PubChem CID: 90222904
• Molecular Formula: C48H34N2Si
• Molecular Weight: 666.90 g/mol
• Exact Mass: 666.25
• IUPAC Name: triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane
• SMILES: c1ccc(-n2ccc3cc4ccc5c6ccccc6n(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)c5c4cc32)cc1
• InChI: InChI=1S/C48H34N2Si/c1-5-15-37(16-6-1)49-32-31-36-33-35-25-30-44-43-23-13-14-24-46(43)50(48(44)45(35)34-47(36)49)38-26-28-42(29-27-38)51(39-17-7-2-8-18-39,40-19-9-3-10-20-40)41-21-11-4-12-22-41/h1-34H
• InChIKey: UEAVIAIFVDRAHP-UHFFFAOYSA-N
• XLogP: 9.26
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.90
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane?

The IUPAC name of triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane (CID 90222904) is triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane.

What is the SMILES notation for triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane?

The canonical SMILES for triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane is c1ccc(-n2ccc3cc4ccc5c6ccccc6n(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)c5c4cc32)cc1.

What is the InChIKey of triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane?

The InChIKey is UEAVIAIFVDRAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2Si/c1-5-15-37(16-6-1)49-32-31-36-33-35-25-30-44-43-23-13-14-24-46(43)50(48(44)45(35)34-47(36)49)38-26-28-42(29-27-38)51(39-17-7-2-8-18-39,40-19-9-3-10-20-40)41-21-11-4-12-22-41/h1-34H.

What are the key properties of triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane?

triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane has a molecular weight of 666.90 g/mol, XLogP of 9.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane is sourced from PubChem (CID 90222904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).