[9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane

C60H41N3Si — CID 170516398

IUPAC[9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane
SMILESc1ccc(-n2c3cccc(-n4c5ccccc5c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)c3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1
InChIInChI=1S/C60H41N3Si/c1-5-22-42(23-6-1)61-54-38-21-39-55(58(54)50-34-19-40-56(59(50)61)62-51-35-16-13-30-46(51)47-31-14-17-36-52(47)62)63-53-37-18-15-32-48(53)49-33-20-41-57(60(49)63)64(43-24-7-2-8-25-43,44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H
InChIKeyURFRYEYPYSFFSU-UHFFFAOYSA-N
MW832.10 g/mol
LogP12.36
Rot. Bonds7

About [9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane

[9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane (PubChem CID 170516398) has the molecular formula C60H41N3Si and a molecular weight of 832.10 g/mol. Its IUPAC name is [9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane
PubChem CID170516398
Molecular FormulaC60H41N3Si
Molecular Weight832.10 g/mol
Exact Mass831.31
IUPAC Name[9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane
SMILESc1ccc(-n2c3cccc(-n4c5ccccc5c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)c3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1
InChIInChI=1S/C60H41N3Si/c1-5-22-42(23-6-1)61-54-38-21-39-55(58(54)50-34-19-40-56(59(50)61)62-51-35-16-13-30-46(51)47-31-14-17-36-52(47)62)63-53-37-18-15-32-48(53)49-33-20-41-57(60(49)63)64(43-24-7-2-8-25-43,44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H
InChIKeyURFRYEYPYSFFSU-UHFFFAOYSA-N
XLogP12.36
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.10
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane
CID 170515290
[8-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170515814
[5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515407
triphenyl-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170515887
triphenyl-[9-[5-phenyl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane
CID 170515929
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
diphenyl-(9-phenylcarbazol-1-yl)-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 140842619
[9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane
CID 170515914
triphenyl-[7-phenyl-9-(9-phenylcarbazol-1-yl)carbazol-1-yl]silane
CID 170515238
[9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane
CID 170515347
triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170516087

Frequently Asked Questions

What is the IUPAC name of [9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane?
The IUPAC name of [9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane (CID 170516398) is [9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane.
What is the SMILES notation for [9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane?
The canonical SMILES for [9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane is c1ccc(-n2c3cccc(-n4c5ccccc5c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)c3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1.
What is the InChIKey of [9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane?
The InChIKey is URFRYEYPYSFFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-5-22-42(23-6-1)61-54-38-21-39-55(58(54)50-34-19-40-56(59(50)61)62-51-35-16-13-30-46(51)47-31-14-17-36-52(47)62)63-53-37-18-15-32-48(53)49-33-20-41-57(60(49)63)64(43-24-7-2-8-25-43,44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H.
What are the key properties of [9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane?
[9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane has a molecular weight of 832.10 g/mol, XLogP of 12.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane is sourced from PubChem (CID 170516398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).