[3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane

C74H64N2Si2 — CID 168766205

IUPAC[3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C74H64N2Si2/c1-73(2,3)53-47-67-65-42-26-28-44-70(65)76(72(67)68(48-53)74(4,5)6)54-45-46-71-66(51-54)64-41-25-27-43-69(64)75(71)55-49-62(77(56-29-13-7-14-30-56,57-31-15-8-16-32-57)58-33-17-9-18-34-58)52-63(50-55)78(59-35-19-10-20-36-59,60-37-21-11-22-38-60)61-39-23-12-24-40-61/h7-52H,1-6H3
InChIKeyUPWBLYKXQORXGG-UHFFFAOYSA-N
MW1037.51 g/mol
LogP13.23
Rot. Bonds10

About [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane

[3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane (PubChem CID 168766205) has the molecular formula C74H64N2Si2 and a molecular weight of 1037.51 g/mol. Its IUPAC name is [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane
PubChem CID168766205
Molecular FormulaC74H64N2Si2
Molecular Weight1037.51 g/mol
Exact Mass1036.46
IUPAC Name[3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C74H64N2Si2/c1-73(2,3)53-47-67-65-42-26-28-44-70(65)76(72(67)68(48-53)74(4,5)6)54-45-46-71-66(51-54)64-41-25-27-43-69(64)75(71)55-49-62(77(56-29-13-7-14-30-56,57-31-15-8-16-32-57)58-33-17-9-18-34-58)52-63(50-55)78(59-35-19-10-20-36-59,60-37-21-11-22-38-60)61-39-23-12-24-40-61/h7-52H,1-6H3
InChIKeyUPWBLYKXQORXGG-UHFFFAOYSA-N
XLogP13.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.51
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-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-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 162490214
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane
CID 168792001
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588869
[3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515344
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
CID 169052984
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-trimethylsilylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-triphenylsilylcarbazol-9-yl)phenyl]-triphenylsilane
CID 165013153
(30-carbazol-9-yl-8,26-diazanonacyclo[24.10.1.18,15.02,7.09,14.020,25.027,32.033,37.019,38]octatriaconta-1(37),2,4,6,9(14),10,12,15,17,19(38),20,22,24,27(32),28,30,33,35-octadecaen-12-yl)-triphenylsilane
CID 168811390

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane?
The IUPAC name of [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane (CID 168766205) is [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane.
What is the SMILES notation for [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane?
The canonical SMILES for [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane is CC(C)(C)c1cc(C(C)(C)C)c2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane?
The InChIKey is UPWBLYKXQORXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H64N2Si2/c1-73(2,3)53-47-67-65-42-26-28-44-70(65)76(72(67)68(48-53)74(4,5)6)54-45-46-71-66(51-54)64-41-25-27-43-69(64)75(71)55-49-62(77(56-29-13-7-14-30-56,57-31-15-8-16-32-57)58-33-17-9-18-34-58)52-63(50-55)78(59-35-19-10-20-36-59,60-37-21-11-22-38-60)61-39-23-12-24-40-61/h7-52H,1-6H3.
What are the key properties of [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane?
[3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane has a molecular weight of 1037.51 g/mol, XLogP of 13.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane is sourced from PubChem (CID 168766205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).