[9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane

C54H38N2Si — CID 170515314

IUPAC[9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane
SMILESc1ccc(-c2cccc3c2c2cccc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)c2n3-c2ccccc2)cc1
InChIInChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)45-31-18-34-51-53(45)47-32-19-35-52(54(47)55(51)40-22-8-2-9-23-40)56-49-33-17-16-30-46(49)48-38-44(36-37-50(48)56)57(41-24-10-3-11-25-41,42-26-12-4-13-27-42)43-28-14-5-15-29-43/h1-38H
InChIKeyDIOQFNMRESOXDS-UHFFFAOYSA-N
MW743.00 g/mol
LogP10.93
Rot. Bonds7

About [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane

[9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane (PubChem CID 170515314) has the molecular formula C54H38N2Si and a molecular weight of 743.00 g/mol. Its IUPAC name is [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane
PubChem CID170515314
Molecular FormulaC54H38N2Si
Molecular Weight743.00 g/mol
Exact Mass742.28
IUPAC Name[9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane
SMILESc1ccc(-c2cccc3c2c2cccc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)c2n3-c2ccccc2)cc1
InChIInChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)45-31-18-34-51-53(45)47-32-19-35-52(54(47)55(51)40-22-8-2-9-23-40)56-49-33-17-16-30-46(49)48-38-44(36-37-50(48)56)57(41-24-10-3-11-25-41,42-26-12-4-13-27-42)43-28-14-5-15-29-43/h1-38H
InChIKeyDIOQFNMRESOXDS-UHFFFAOYSA-N
XLogP10.93
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.00
LogP ≤ 510.93
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 [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-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

triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane
CID 170516100
triphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-1-yl]carbazol-3-yl]silane
CID 170515471
triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 171457989
diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 171458283
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516287
triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588869
(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane
CID 171457919
triphenyl-[9-[5-phenyl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane
CID 170515929
[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane
CID 171458759
triphenyl-[9-(9-phenylcarbazol-1-yl)carbazol-2-yl]silane
CID 170515043
[9-(1,9-diphenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516340
triphenyl-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515042

Frequently Asked Questions

What is the IUPAC name of [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane?
The IUPAC name of [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane (CID 170515314) is [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane?
The canonical SMILES for [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane is c1ccc(-c2cccc3c2c2cccc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)c2n3-c2ccccc2)cc1.
What is the InChIKey of [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane?
The InChIKey is DIOQFNMRESOXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)45-31-18-34-51-53(45)47-32-19-35-52(54(47)55(51)40-22-8-2-9-23-40)56-49-33-17-16-30-46(49)48-38-44(36-37-50(48)56)57(41-24-10-3-11-25-41,42-26-12-4-13-27-42)43-28-14-5-15-29-43/h1-38H.
What are the key properties of [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane?
[9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane has a molecular weight of 743.00 g/mol, XLogP of 10.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 170515314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).