[3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane

C56H47N3Si — CID 171574330

IUPAC[3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C56H47N3Si/c1-4-16-45(17-5-1)60(46-18-6-2-7-19-46,47-20-8-3-9-21-47)48-22-14-15-43(34-48)52-35-51(42-27-29-44(30-28-42)56-36-39-31-40(37-56)33-41(32-39)38-56)57-55(58-52)59-53-25-12-10-23-49(53)50-24-11-13-26-54(50)59/h1-30,34-35,39-41H,31-33,36-38H2
InChIKeyGHUYZYJWDYQYAT-UHFFFAOYSA-N
MW790.10 g/mol
LogP10.75
Rot. Bonds8

About [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane

[3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane (PubChem CID 171574330) has the molecular formula C56H47N3Si and a molecular weight of 790.10 g/mol. Its IUPAC name is [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane
PubChem CID171574330
Molecular FormulaC56H47N3Si
Molecular Weight790.10 g/mol
Exact Mass789.35
IUPAC Name[3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C56H47N3Si/c1-4-16-45(17-5-1)60(46-18-6-2-7-19-46,47-20-8-3-9-21-47)48-22-14-15-43(34-48)52-35-51(42-27-29-44(30-28-42)56-36-39-31-40(37-56)33-41(32-39)38-56)57-55(58-52)59-53-25-12-10-23-49(53)50-24-11-13-26-54(50)59/h1-30,34-35,39-41H,31-33,36-38H2
InChIKeyGHUYZYJWDYQYAT-UHFFFAOYSA-N
XLogP10.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.10
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane
CID 171574383
9-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 171574370
3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171574335
[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836287
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane
CID 168836289
9-[4-[4-(1-adamantyl)-2,6-diphenylphenyl]-6-carbazol-9-ylpyrimidin-2-yl]carbazole
CID 171574350
2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine
CID 162774006
9-[4-[4-(1-adamantyl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole-3-carbonitrile
CID 171574338
11-[4-[4-[4-[8-[4-(1-adamantyl)phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]benzo[a]carbazole
CID 177283076
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 169031810
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 169031891

Frequently Asked Questions

What is the IUPAC name of [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane (CID 171574330) is [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane?
The InChIKey is GHUYZYJWDYQYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N3Si/c1-4-16-45(17-5-1)60(46-18-6-2-7-19-46,47-20-8-3-9-21-47)48-22-14-15-43(34-48)52-35-51(42-27-29-44(30-28-42)56-36-39-31-40(37-56)33-41(32-39)38-56)57-55(58-52)59-53-25-12-10-23-49(53)50-24-11-13-26-54(50)59/h1-30,34-35,39-41H,31-33,36-38H2.
What are the key properties of [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane?
[3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane has a molecular weight of 790.10 g/mol, XLogP of 10.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 171574330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).