triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane

C71H52N2Si2 — CID 168780527

IUPACtriphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C71H52N2Si2/c1-8-26-53(27-9-1)54-46-47-71-67(50-54)66-44-22-23-45-70(66)73(71)57-51-68(55-28-24-42-64(48-55)74(58-30-10-2-11-31-58,59-32-12-3-13-33-59)60-34-14-4-15-35-60)72-69(52-57)56-29-25-43-65(49-56)75(61-36-16-5-17-37-61,62-38-18-6-19-39-62)63-40-20-7-21-41-63/h1-52H
InChIKeyGRMDOBLVSKGTJI-UHFFFAOYSA-N
MW989.38 g/mol
LogP11.93
Rot. Bonds12

About triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane

triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane (PubChem CID 168780527) has the molecular formula C71H52N2Si2 and a molecular weight of 989.38 g/mol. Its IUPAC name is triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane
PubChem CID168780527
Molecular FormulaC71H52N2Si2
Molecular Weight989.38 g/mol
Exact Mass988.37
IUPAC Nametriphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C71H52N2Si2/c1-8-26-53(27-9-1)54-46-47-71-67(50-54)66-44-22-23-45-70(66)73(71)57-51-68(55-28-24-42-64(48-55)74(58-30-10-2-11-31-58,59-32-12-3-13-33-59)60-34-14-4-15-35-60)72-69(52-57)56-29-25-43-65(49-56)75(61-36-16-5-17-37-61,62-38-18-6-19-39-62)63-40-20-7-21-41-63/h1-52H
InChIKeyGRMDOBLVSKGTJI-UHFFFAOYSA-N
XLogP11.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms75
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.38
LogP ≤ 511.93
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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Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane?
The IUPAC name of triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane (CID 168780527) is triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane.
What is the SMILES notation for triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane?
The canonical SMILES for triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane?
The InChIKey is GRMDOBLVSKGTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H52N2Si2/c1-8-26-53(27-9-1)54-46-47-71-67(50-54)66-44-22-23-45-70(66)73(71)57-51-68(55-28-24-42-64(48-55)74(58-30-10-2-11-31-58,59-32-12-3-13-33-59)60-34-14-4-15-35-60)72-69(52-57)56-29-25-43-65(49-56)75(61-36-16-5-17-37-61,62-38-18-6-19-39-62)63-40-20-7-21-41-63/h1-52H.
What are the key properties of triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane?
triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane has a molecular weight of 989.38 g/mol, XLogP of 11.93, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane is sourced from PubChem (CID 168780527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).