[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane

C72H49N3Si — CID 176785001

IUPAC[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C72H49N3Si/c1-4-21-56(22-5-1)76(57-23-6-2-7-24-57,58-25-8-3-9-26-58)59-45-43-51(44-46-59)50-39-41-52(42-40-50)53-47-54(73-65-32-15-10-27-60(65)61-28-11-16-33-66(61)73)49-55(48-53)74-69-36-19-14-31-64(69)72-70(74)37-20-38-71(72)75-67-34-17-12-29-62(67)63-30-13-18-35-68(63)75/h1-49H
InChIKeyYIZIGSWFMNZXOL-UHFFFAOYSA-N
MW984.29 g/mol
LogP15.69
Rot. Bonds9

About [4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane

[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane (PubChem CID 176785001) has the molecular formula C72H49N3Si and a molecular weight of 984.29 g/mol. Its IUPAC name is [4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
PubChem CID176785001
Molecular FormulaC72H49N3Si
Molecular Weight984.29 g/mol
Exact Mass983.37
IUPAC Name[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C72H49N3Si/c1-4-21-56(22-5-1)76(57-23-6-2-7-24-57,58-25-8-3-9-26-58)59-45-43-51(44-46-59)50-39-41-52(42-40-50)53-47-54(73-65-32-15-10-27-60(65)61-28-11-16-33-66(61)73)49-55(48-53)74-69-36-19-14-31-64(69)72-70(74)37-20-38-71(72)75-67-34-17-12-29-62(67)63-30-13-18-35-68(63)75/h1-49H
InChIKeyYIZIGSWFMNZXOL-UHFFFAOYSA-N
XLogP15.69
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.29
LogP ≤ 515.69
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-[4-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588633
[3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588383
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588500
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane
CID 170515899
[3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588646
[3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588896
triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588340
4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170097372
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane?
The IUPAC name of [4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane (CID 176785001) is [4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)c4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane?
The InChIKey is YIZIGSWFMNZXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3Si/c1-4-21-56(22-5-1)76(57-23-6-2-7-24-57,58-25-8-3-9-26-58)59-45-43-51(44-46-59)50-39-41-52(42-40-50)53-47-54(73-65-32-15-10-27-60(65)61-28-11-16-33-66(61)73)49-55(48-53)74-69-36-19-14-31-64(69)72-70(74)37-20-38-71(72)75-67-34-17-12-29-62(67)63-30-13-18-35-68(63)75/h1-49H.
What are the key properties of [4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane?
[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane has a molecular weight of 984.29 g/mol, XLogP of 15.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 176785001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).