diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane

C71H51N3Si2 — CID 164844651

About diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane

diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane (PubChem CID 164844651) has the molecular formula C71H51N3Si2 and a molecular weight of 1002.38 g/mol. Its IUPAC name is diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane.

Molecular Properties

• Compound Name: diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane
• PubChem CID: 164844651
• Molecular Formula: C71H51N3Si2
• Molecular Weight: 1002.38 g/mol
• Exact Mass: 1001.36
• IUPAC Name: diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-c5nc(-c6ccccc6)nc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)n5)c43)c2)cc1
• InChI: InChI=1S/C71H51N3Si2/c1-8-27-50(28-9-1)52-31-24-42-58(49-52)75(53-32-12-3-13-33-53,54-34-14-4-15-35-54)64-48-26-46-62-65-59-43-22-23-44-60(59)68(67(62)64)66-61(65)45-25-47-63(66)70-72-69(51-29-10-2-11-30-51)73-71(74-70)76(55-36-16-5-17-37-55,56-38-18-6-19-39-56)57-40-20-7-21-41-57/h1-49,65,68H
• InChIKey: URFPIEKRPYBHJQ-UHFFFAOYSA-N
• XLogP: 10.61
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1002.38
LogP ≤ 5	10.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane?

The IUPAC name of diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane (CID 164844651) is diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane.

What is the SMILES notation for diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane?

The canonical SMILES for diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-c5nc(-c6ccccc6)nc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)n5)c43)c2)cc1.

What is the InChIKey of diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane?

The InChIKey is URFPIEKRPYBHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H51N3Si2/c1-8-27-50(28-9-1)52-31-24-42-58(49-52)75(53-32-12-3-13-33-53,54-34-14-4-15-35-54)64-48-26-46-62-65-59-43-22-23-44-60(59)68(67(62)64)66-61(65)45-25-47-63(66)70-72-69(51-29-10-2-11-30-51)73-71(74-70)76(55-36-16-5-17-37-55,56-38-18-6-19-39-56)57-40-20-7-21-41-57/h1-49,65,68H.

What are the key properties of diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane?

diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane has a molecular weight of 1002.38 g/mol, XLogP of 10.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane is sourced from PubChem (CID 164844651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).