3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane

C142H97N13Si2 — CID 161452371

About 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane

3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane (PubChem CID 161452371) has the molecular formula C142H97N13Si2 and a molecular weight of 2041.60 g/mol. Its IUPAC name is 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane
• PubChem CID: 161452371
• Molecular Formula: C142H97N13Si2
• Molecular Weight: 2041.60 g/mol
• Exact Mass: 2039.75
• IUPAC Name: 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane
• SMILES: N#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)c1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)n2)cc1
• InChI: InChI=1S/C57H40N4Si.C51H36N4Si.C34H21N5/c1-6-18-42(19-7-1)55-58-56(43-20-8-2-9-21-43)60-57(59-55)44-30-35-46(36-31-44)61-53-29-17-16-28-51(53)52-40-45(34-39-54(52)61)41-32-37-50(38-33-41)62(47-22-10-3-11-23-47,48-24-12-4-13-25-48)49-26-14-5-15-27-49;1-5-18-37(19-6-1)49-52-50(38-32-34-40(35-33-38)55-47-30-15-13-28-45(47)46-29-14-16-31-48(46)55)54-51(53-49)39-20-17-27-44(36-39)56(41-21-7-2-8-22-41,42-23-9-3-10-24-42)43-25-11-4-12-26-43;35-22-23-9-8-12-26(21-23)34-37-32(24-10-2-1-3-11-24)36-33(38-34)25-17-19-27(20-18-25)39-30-15-6-4-13-28(30)29-14-5-7-16-31(29)39/h1-40H;1-36H;1-21H
• InChIKey: WARWCQRRDJZFCX-UHFFFAOYSA-N
• XLogP: 28.20
• TPSA: 154.59 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2041.60
LogP ≤ 5	28.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane?

The IUPAC name of 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane (CID 161452371) is 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane.

What is the SMILES notation for 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane?

The canonical SMILES for 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane is N#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)c1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)n2)cc1.

What is the InChIKey of 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane?

The InChIKey is WARWCQRRDJZFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4Si.C51H36N4Si.C34H21N5/c1-6-18-42(19-7-1)55-58-56(43-20-8-2-9-21-43)60-57(59-55)44-30-35-46(36-31-44)61-53-29-17-16-28-51(53)52-40-45(34-39-54(52)61)41-32-37-50(38-33-41)62(47-22-10-3-11-23-47,48-24-12-4-13-25-48)49-26-14-5-15-27-49;1-5-18-37(19-6-1)49-52-50(38-32-34-40(35-33-38)55-47-30-15-13-28-45(47)46-29-14-16-31-48(46)55)54-51(53-49)39-20-17-27-44(36-39)56(41-21-7-2-8-22-41,42-23-9-3-10-24-42)43-25-11-4-12-26-43;35-22-23-9-8-12-26(21-23)34-37-32(24-10-2-1-3-11-24)36-33(38-34)25-17-19-27(20-18-25)39-30-15-6-4-13-28(30)29-14-5-7-16-31(29)39/h1-40H;1-36H;1-21H.

What are the key properties of 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane?

3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane has a molecular weight of 2041.60 g/mol, XLogP of 28.20, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 161452371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).