[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane

C54H38N2Si — CID 140778740

IUPAC[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
SMILESc1ccc(-n2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C54H38N2Si/c1-5-17-41(18-6-1)56-53-36-31-40(39-29-32-42(33-30-39)55-51-27-15-13-25-47(51)48-26-14-16-28-52(48)55)37-50(53)49-35-34-46(38-54(49)56)57(43-19-7-2-8-20-43,44-21-9-3-10-22-44)45-23-11-4-12-24-45/h1-38H
InChIKeyCCDFVAMDAAIHPB-UHFFFAOYSA-N
MW743.00 g/mol
LogP10.93
Rot. Bonds7

About [6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane

[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane (PubChem CID 140778740) has the molecular formula C54H38N2Si and a molecular weight of 743.00 g/mol. Its IUPAC name is [6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
PubChem CID140778740
Molecular FormulaC54H38N2Si
Molecular Weight743.00 g/mol
Exact Mass742.28
IUPAC Name[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
SMILESc1ccc(-n2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C54H38N2Si/c1-5-17-41(18-6-1)56-53-36-31-40(39-29-32-42(33-30-39)55-51-27-15-13-25-47(51)48-26-14-16-28-52(48)55)37-50(53)49-35-34-46(38-54(49)56)57(43-19-7-2-8-20-43,44-21-9-3-10-22-44)45-23-11-4-12-24-45/h1-38H
InChIKeyCCDFVAMDAAIHPB-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

triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane;triphenyl-[9-phenyl-6-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-2-yl]silane;triphenyl-[9-phenyl-6-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-3-yl]silane
CID 165026988
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140842607
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 140790424
triphenyl-[3-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588203
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755

Frequently Asked Questions

What is the IUPAC name of [6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane?
The IUPAC name of [6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane (CID 140778740) is [6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane.
What is the SMILES notation for [6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane?
The canonical SMILES for [6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane is c1ccc(-n2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc32)cc1.
What is the InChIKey of [6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane?
The InChIKey is CCDFVAMDAAIHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-5-17-41(18-6-1)56-53-36-31-40(39-29-32-42(33-30-39)55-51-27-15-13-25-47(51)48-26-14-16-28-52(48)55)37-50(53)49-35-34-46(38-54(49)56)57(43-19-7-2-8-20-43,44-21-9-3-10-22-44)45-23-11-4-12-24-45/h1-38H.
What are the key properties of [6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane?
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-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 [6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 140778740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).