[4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C52H39N5Si — CID 174013966

About [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 174013966) has the molecular formula C52H39N5Si and a molecular weight of 762.01 g/mol. Its IUPAC name is [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 174013966
• Molecular Formula: C52H39N5Si
• Molecular Weight: 762.01 g/mol
• Exact Mass: 761.30
• IUPAC Name: [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: C=Cc1c(/C=C\C)n(-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)c2ccccc12
• InChI: InChI=1S/C52H39N5Si/c1-3-20-46-42(4-2)43-27-14-17-30-47(43)56(46)51-53-50(54-52(55-51)57-48-31-18-15-28-44(48)45-29-16-19-32-49(45)57)37-33-35-41(36-34-37)58(38-21-8-5-9-22-38,39-23-10-6-11-24-39)40-25-12-7-13-26-40/h3-36H,2H2,1H3/b20-3-
• InChIKey: ZJRLXNLPLBJJNE-DYUKFFQPSA-N
• XLogP: 9.63
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.01
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 174013966) is [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is C=Cc1c(/C=C\C)n(-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)c2ccccc12.

What is the InChIKey of [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The InChIKey is ZJRLXNLPLBJJNE-DYUKFFQPSA-N. The full InChI is InChI=1S/C52H39N5Si/c1-3-20-46-42(4-2)43-27-14-17-30-47(43)56(46)51-53-50(54-52(55-51)57-48-31-18-15-28-44(48)45-29-16-19-32-49(45)57)37-33-35-41(36-34-37)58(38-21-8-5-9-22-38,39-23-10-6-11-24-39)40-25-12-7-13-26-40/h3-36H,2H2,1H3/b20-3-.

What are the key properties of [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

[4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 762.01 g/mol, XLogP of 9.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 174013966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).