triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane

C54H38N2Si — CID 170516450

IUPACtriphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane
SMILESc1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c3c(c2)c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)40-36-49-47-31-17-19-33-51(47)56(42-34-35-48-46-30-16-18-32-50(46)55(52(48)38-42)41-22-8-2-9-23-41)54(49)53(37-40)57(43-24-10-3-11-25-43,44-26-12-4-13-27-44)45-28-14-5-15-29-45/h1-38H
InChIKeyWDVGHICDHJBRMG-UHFFFAOYSA-N
MW743.00 g/mol
LogP10.93
Rot. Bonds7

About triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane

triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane (PubChem CID 170516450) has the molecular formula C54H38N2Si and a molecular weight of 743.00 g/mol. Its IUPAC name is triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane.

Molecular Properties

Compound Nametriphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane
PubChem CID170516450
Molecular FormulaC54H38N2Si
Molecular Weight743.00 g/mol
Exact Mass742.28
IUPAC Nametriphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane
SMILESc1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c3c(c2)c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)40-36-49-47-31-17-19-33-51(47)56(42-34-35-48-46-30-16-18-32-50(46)55(52(48)38-42)41-22-8-2-9-23-41)54(49)53(37-40)57(43-24-10-3-11-25-43,44-26-12-4-13-27-44)45-28-14-5-15-29-45/h1-38H
InChIKeyWDVGHICDHJBRMG-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'}

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Related Compounds

[9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
CID 170515733
triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane
CID 170515505
[3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515344
[1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane
CID 170515424
triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
CID 170515084
[8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
CID 170515630
triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
CID 170515546
[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516471
triphenyl-[8-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170516013
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
[1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516355
triphenyl-[9-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
CID 170515960

Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane?
The IUPAC name of triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane (CID 170516450) is triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane.
What is the SMILES notation for triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane?
The canonical SMILES for triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane is c1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c3c(c2)c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane?
The InChIKey is WDVGHICDHJBRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)40-36-49-47-31-17-19-33-51(47)56(42-34-35-48-46-30-16-18-32-50(46)55(52(48)38-42)41-22-8-2-9-23-41)54(49)53(37-40)57(43-24-10-3-11-25-43,44-26-12-4-13-27-44)45-28-14-5-15-29-45/h1-38H.
What are the key properties of triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane?
triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane 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 triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane is sourced from PubChem (CID 170516450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).