[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane

C48H33BrN2Si — CID 162490214

IUPAC[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane
SMILESBrc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C48H33BrN2Si/c49-34-30-36(32-40(31-34)52(37-16-4-1-5-17-37,38-18-6-2-7-19-38)39-20-8-3-9-21-39)51-47-27-15-12-24-43(47)44-33-35(28-29-48(44)51)50-45-25-13-10-22-41(45)42-23-11-14-26-46(42)50/h1-33H
InChIKeyHJAQVNGJDMTNHC-UHFFFAOYSA-N
MW745.80 g/mol
LogP10.02
Rot. Bonds6

About [3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane

[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane (PubChem CID 162490214) has the molecular formula C48H33BrN2Si and a molecular weight of 745.80 g/mol. Its IUPAC name is [3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane
PubChem CID162490214
Molecular FormulaC48H33BrN2Si
Molecular Weight745.80 g/mol
Exact Mass744.16
IUPAC Name[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane
SMILESBrc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C48H33BrN2Si/c49-34-30-36(32-40(31-34)52(37-16-4-1-5-17-37,38-18-6-2-7-19-38)39-20-8-3-9-21-39)51-47-27-15-12-24-43(47)44-33-35(28-29-48(44)51)50-45-25-13-10-22-41(45)42-23-11-14-26-46(42)50/h1-33H
InChIKeyHJAQVNGJDMTNHC-UHFFFAOYSA-N
XLogP10.02
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.80
LogP ≤ 510.02
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-bromo-5-(3-carbazol-9-ylcarbazol-9-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-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
(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
[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
CID 58687534
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025
triphenyl-[3-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588203
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
[3-[3-(1,3-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-triphenylsilylphenyl]-triphenylsilane
CID 168766205

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane?
The IUPAC name of [3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane (CID 162490214) is [3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane?
The canonical SMILES for [3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane is Brc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane?
The InChIKey is HJAQVNGJDMTNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33BrN2Si/c49-34-30-36(32-40(31-34)52(37-16-4-1-5-17-37,38-18-6-2-7-19-38)39-20-8-3-9-21-39)51-47-27-15-12-24-43(47)44-33-35(28-29-48(44)51)50-45-25-13-10-22-41(45)42-23-11-14-26-46(42)50/h1-33H.
What are the key properties of [3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane?
[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane has a molecular weight of 745.80 g/mol, XLogP of 10.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 162490214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).