[7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane

C60H41N3Si — CID 170515020

IUPAC[7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane
SMILESc1ccc(-n2c3ccccc3c3cccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)c32)cc1
InChIInChI=1S/C60H41N3Si/c1-5-20-42(21-6-1)62-56-34-18-15-30-50(56)53-31-19-35-57(60(53)62)63-58-40-43(61-54-32-16-13-28-48(54)49-29-14-17-33-55(49)61)36-38-51(58)52-39-37-47(41-59(52)63)64(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-41H
InChIKeyZZBHUFMCAGQGAX-UHFFFAOYSA-N
MW832.10 g/mol
LogP12.36
Rot. Bonds7

About [7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane

[7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane (PubChem CID 170515020) has the molecular formula C60H41N3Si and a molecular weight of 832.10 g/mol. Its IUPAC name is [7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane
PubChem CID170515020
Molecular FormulaC60H41N3Si
Molecular Weight832.10 g/mol
Exact Mass831.31
IUPAC Name[7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane
SMILESc1ccc(-n2c3ccccc3c3cccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)c32)cc1
InChIInChI=1S/C60H41N3Si/c1-5-20-42(21-6-1)62-56-34-18-15-30-50(56)53-31-19-35-57(60(53)62)63-58-40-43(61-54-32-16-13-28-48(54)49-29-14-17-33-55(49)61)36-38-51(58)52-39-37-47(41-59(52)63)64(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-41H
InChIKeyZZBHUFMCAGQGAX-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

[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane
CID 170516283
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516287
triphenyl-[9-(9-phenylcarbazol-1-yl)carbazol-2-yl]silane
CID 170515043
[9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170515569
triphenyl-[4-[2-[1-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588219
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588700
triphenyl-[7-phenyl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]silane
CID 170515983
triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588869
[1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516355
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
triphenyl-[4-[1-[3-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588416
[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588500

Frequently Asked Questions

What is the IUPAC name of [7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane?
The IUPAC name of [7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane (CID 170515020) is [7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane.
What is the SMILES notation for [7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane?
The canonical SMILES for [7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane is c1ccc(-n2c3ccccc3c3cccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)c32)cc1.
What is the InChIKey of [7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane?
The InChIKey is ZZBHUFMCAGQGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-5-20-42(21-6-1)62-56-34-18-15-30-50(56)53-31-19-35-57(60(53)62)63-58-40-43(61-54-32-16-13-28-48(54)49-29-14-17-33-55(49)61)36-38-51(58)52-39-37-47(41-59(52)63)64(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-41H.
What are the key properties of [7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane?
[7-carbazol-9-yl-9-(9-phenylcarbazol-1-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 [7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 170515020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).