[9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane

C78H53N3Si — CID 176784894

IUPAC[9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc54)cc32)c1
InChIInChI=1S/C78H53N3Si/c1-6-22-54(23-7-1)57-38-42-65(43-39-57)82(63-28-12-4-13-29-63,64-30-14-5-15-31-64)66-44-47-77-72(53-66)71-50-58(55-24-8-2-9-25-55)40-46-76(71)79(77)60-41-45-70-69-34-18-21-37-75(69)81(78(70)52-60)62-49-59(56-26-10-3-11-27-56)48-61(51-62)80-73-35-19-16-32-67(73)68-33-17-20-36-74(68)80/h1-53H/i16D,17D,19D,20D,32D,33D,35D,36D
InChIKeyVNAZIKFWFMXZHT-BXXUODQRSA-N
MW1068.44 g/mol
LogP17.36
Rot. Bonds10

About [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane

[9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane (PubChem CID 176784894) has the molecular formula C78H53N3Si and a molecular weight of 1068.44 g/mol. Its IUPAC name is [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

Compound Name[9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane
PubChem CID176784894
Molecular FormulaC78H53N3Si
Molecular Weight1068.44 g/mol
Exact Mass1067.45
IUPAC Name[9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc54)cc32)c1
InChIInChI=1S/C78H53N3Si/c1-6-22-54(23-7-1)57-38-42-65(43-39-57)82(63-28-12-4-13-29-63,64-30-14-5-15-31-64)66-44-47-77-72(53-66)71-50-58(55-24-8-2-9-25-55)40-46-76(71)79(77)60-41-45-70-69-34-18-21-37-75(69)81(78(70)52-60)62-49-59(56-26-10-3-11-27-56)48-61(51-62)80-73-35-19-16-32-67(73)68-33-17-20-36-74(68)80/h1-53H/i16D,17D,19D,20D,32D,33D,35D,36D
InChIKeyVNAZIKFWFMXZHT-BXXUODQRSA-N
XLogP17.36
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001068.44
LogP ≤ 517.36
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'}

Analyze [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane with MolForge

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Related Compounds

[3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 176784997
[3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane
CID 176784938
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025
triphenyl-[6-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515246
triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516202
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740
[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
CID 164756587
[6-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane;1,2,3,4,5,6,7-heptadeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4-tetradeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 165095571
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755

Frequently Asked Questions

What is the IUPAC name of [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane?
The IUPAC name of [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane (CID 176784894) is [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane.
What is the SMILES notation for [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane?
The canonical SMILES for [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc54)cc32)c1.
What is the InChIKey of [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane?
The InChIKey is VNAZIKFWFMXZHT-BXXUODQRSA-N. The full InChI is InChI=1S/C78H53N3Si/c1-6-22-54(23-7-1)57-38-42-65(43-39-57)82(63-28-12-4-13-29-63,64-30-14-5-15-31-64)66-44-47-77-72(53-66)71-50-58(55-24-8-2-9-25-55)40-46-76(71)79(77)60-41-45-70-69-34-18-21-37-75(69)81(78(70)52-60)62-49-59(56-26-10-3-11-27-56)48-61(51-62)80-73-35-19-16-32-67(73)68-33-17-20-36-74(68)80/h1-53H/i16D,17D,19D,20D,32D,33D,35D,36D.
What are the key properties of [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane?
[9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane has a molecular weight of 1068.44 g/mol, XLogP of 17.36, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[9-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylphenyl]carbazol-2-yl]-6-phenylcarbazol-3-yl]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 176784894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).