[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide

C52H41N4Si- — CID 163437043

About [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide

[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide (PubChem CID 163437043) has the molecular formula C52H41N4Si- and a molecular weight of 750.01 g/mol. Its IUPAC name is [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide.

Molecular Properties

• Compound Name: [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide
• PubChem CID: 163437043
• Molecular Formula: C52H41N4Si-
• Molecular Weight: 750.01 g/mol
• Exact Mass: 749.31
• IUPAC Name: [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide
• SMILES: CC1CC=CC=C1[SiH-](c1ccccc1)(c1ccccc1)c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1
• InChI: InChI=1S/C52H41N4Si/c1-37-19-11-16-34-49(37)57(42-25-7-3-8-26-42,43-27-9-4-10-28-43)44-29-18-23-40(36-44)52-54-50(38-20-5-2-6-21-38)53-51(55-52)39-22-17-24-41(35-39)56-47-32-14-12-30-45(47)46-31-13-15-33-48(46)56/h2-18,20-37,57H,19H2,1H3/q-1
• InChIKey: AVJUWTOFURZFLP-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.01
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide?

The IUPAC name of [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide (CID 163437043) is [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide.

What is the SMILES notation for [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide?

The canonical SMILES for [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide is CC1CC=CC=C1[SiH-](c1ccccc1)(c1ccccc1)c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1.

What is the InChIKey of [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide?

The InChIKey is AVJUWTOFURZFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N4Si/c1-37-19-11-16-34-49(37)57(42-25-7-3-8-26-42,43-27-9-4-10-28-43)44-29-18-23-40(36-44)52-54-50(38-20-5-2-6-21-38)53-51(55-52)39-22-17-24-41(35-39)56-47-32-14-12-30-45(47)46-31-13-15-33-48(46)56/h2-18,20-37,57H,19H2,1H3/q-1.

What are the key properties of [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide?

[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide has a molecular weight of 750.01 g/mol, XLogP of 10.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(6-methylcyclohexa-1,3-dien-1-yl)-diphenylsilanuide is sourced from PubChem (CID 163437043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).