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

C60H41N3Si — CID 170515435

IUPAC[3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)cccc32)cc1
InChIInChI=1S/C60H41N3Si/c1-5-22-42(23-6-1)61-54-37-20-16-33-49(54)60-55(61)38-21-39-56(60)63-53-36-19-15-32-48(53)50-40-58(62-51-34-17-13-30-46(51)47-31-14-18-35-52(47)62)59(41-57(50)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
InChIKeyWFUPLACVIMASQL-UHFFFAOYSA-N
MW832.10 g/mol
LogP12.36
Rot. Bonds7

About [3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane

[3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane (PubChem CID 170515435) has the molecular formula C60H41N3Si and a molecular weight of 832.10 g/mol. Its IUPAC name is [3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane
PubChem CID170515435
Molecular FormulaC60H41N3Si
Molecular Weight832.10 g/mol
Exact Mass831.31
IUPAC Name[3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)cccc32)cc1
InChIInChI=1S/C60H41N3Si/c1-5-22-42(23-6-1)61-54-37-20-16-33-49(54)60-55(61)38-21-39-56(60)63-53-36-19-15-32-48(53)50-40-58(62-51-34-17-13-30-46(51)47-31-14-18-35-52(47)62)59(41-57(50)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
InChIKeyWFUPLACVIMASQL-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

triphenyl-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170515887
[3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588383
[8-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170515814
[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588500
[3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588646
[9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane
CID 170515290
[2-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516488
[9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane
CID 170516398
[4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588375
[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785001
[9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516363
[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
CID 158933010

Frequently Asked Questions

What is the IUPAC name of [3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane?
The IUPAC name of [3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane (CID 170515435) is [3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane.
What is the SMILES notation for [3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane?
The canonical SMILES for [3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane is c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)cccc32)cc1.
What is the InChIKey of [3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane?
The InChIKey is WFUPLACVIMASQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-5-22-42(23-6-1)61-54-37-20-16-33-49(54)60-55(61)38-21-39-56(60)63-53-36-19-15-32-48(53)50-40-58(62-51-34-17-13-30-46(51)47-31-14-18-35-52(47)62)59(41-57(50)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 [3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane?
[3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-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 [3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 170515435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).