triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane

C54H37N3Si — CID 162480572

About triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane

triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane (PubChem CID 162480572) has the molecular formula C54H37N3Si and a molecular weight of 756.00 g/mol. Its IUPAC name is triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane
• PubChem CID: 162480572
• Molecular Formula: C54H37N3Si
• Molecular Weight: 756.00 g/mol
• Exact Mass: 755.28
• IUPAC Name: triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4n4c5ccccc5c5ccc6c7ccccc7n(c7ccccc73)c6c54)cc2)cc1
• InChI: InChI=1S/C54H37N3Si/c1-4-18-39(19-5-1)58(40-20-6-2-7-21-40,41-22-8-3-9-23-41)42-34-32-38(33-35-42)55-49-28-14-16-30-51(49)56-47-26-12-10-24-43(47)45-36-37-46-44-25-11-13-27-48(44)57(54(46)53(45)56)52-31-17-15-29-50(52)55/h1-37H
• InChIKey: PLCZOFAIWSIVAH-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 13.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.00
LogP ≤ 5	10.69
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 triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane?

The IUPAC name of triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane (CID 162480572) is triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane.

What is the SMILES notation for triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane?

The canonical SMILES for triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4n4c5ccccc5c5ccc6c7ccccc7n(c7ccccc73)c6c54)cc2)cc1.

What is the InChIKey of triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane?

The InChIKey is PLCZOFAIWSIVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3Si/c1-4-18-39(19-5-1)58(40-20-6-2-7-21-40,41-22-8-3-9-23-41)42-34-32-38(33-35-42)55-49-28-14-16-30-51(49)56-47-26-12-10-24-43(47)45-36-37-46-44-25-11-13-27-48(44)57(54(46)53(45)56)52-31-17-15-29-50(52)55/h1-37H.

What are the key properties of triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane?

triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane has a molecular weight of 756.00 g/mol, XLogP of 10.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)phenyl]silane is sourced from PubChem (CID 162480572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).