triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane

C43H31N3Si — CID 140887729

About triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane

triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane (PubChem CID 140887729) has the molecular formula C43H31N3Si and a molecular weight of 617.83 g/mol. Its IUPAC name is triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane
• PubChem CID: 140887729
• Molecular Formula: C43H31N3Si
• Molecular Weight: 617.83 g/mol
• Exact Mass: 617.23
• IUPAC Name: triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane
• SMILES: c1ccc(-c2nc3cccc4c3n2-c2ccccc2N4c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C43H31N3Si/c1-5-16-32(17-6-1)43-44-38-24-15-27-41-42(38)46(43)40-26-14-13-25-39(40)45(41)33-28-30-37(31-29-33)47(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h1-31H
• InChIKey: UKUSREFWHYWUBE-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.83
LogP ≤ 5	7.85
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-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane?

The IUPAC name of triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane (CID 140887729) is triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane.

What is the SMILES notation for triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane?

The canonical SMILES for triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane is c1ccc(-c2nc3cccc4c3n2-c2ccccc2N4c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.

What is the InChIKey of triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane?

The InChIKey is UKUSREFWHYWUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3Si/c1-5-16-32(17-6-1)43-44-38-24-15-27-41-42(38)46(43)40-26-14-13-25-39(40)45(41)33-28-30-37(31-29-33)47(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h1-31H.

What are the key properties of triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane?

triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane has a molecular weight of 617.83 g/mol, XLogP of 7.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane is sourced from PubChem (CID 140887729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).