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

C54H37IN2Si — CID 169044691

IUPAC[4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESIc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C54H37IN2Si/c55-49-32-31-44(58(41-19-7-2-8-20-41,42-21-9-3-10-22-42)43-23-11-4-12-24-43)37-54(49)57-51-28-16-14-26-46(51)48-36-39(30-34-53(48)57)38-29-33-52-47(35-38)45-25-13-15-27-50(45)56(52)40-17-5-1-6-18-40/h1-37H
InChIKeyUVWVAGQWMMGPII-UHFFFAOYSA-N
MW868.89 g/mol
LogP11.53
Rot. Bonds7

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

[4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 169044691) has the molecular formula C54H37IN2Si and a molecular weight of 868.89 g/mol. Its IUPAC name is [4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane
PubChem CID169044691
Molecular FormulaC54H37IN2Si
Molecular Weight868.89 g/mol
Exact Mass868.18
IUPAC Name[4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESIc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C54H37IN2Si/c55-49-32-31-44(58(41-19-7-2-8-20-41,42-21-9-3-10-22-42)43-23-11-4-12-24-43)37-54(49)57-51-28-16-14-26-46(51)48-36-39(30-34-53(48)57)38-29-33-52-47(35-38)45-25-13-15-27-50(45)56(52)40-17-5-1-6-18-40/h1-37H
InChIKeyUVWVAGQWMMGPII-UHFFFAOYSA-N
XLogP11.53
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.89
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140842607
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
[3-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-triphenylsilane
CID 162490205
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751

Frequently Asked Questions

What is the IUPAC name of [4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 169044691) is [4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane is Ic1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of [4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is UVWVAGQWMMGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37IN2Si/c55-49-32-31-44(58(41-19-7-2-8-20-41,42-21-9-3-10-22-42)43-23-11-4-12-24-43)37-54(49)57-51-28-16-14-26-46(51)48-36-39(30-34-53(48)57)38-29-33-52-47(35-38)45-25-13-15-27-50(45)56(52)40-17-5-1-6-18-40/h1-37H.
What are the key properties of [4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane?
[4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 868.89 g/mol, XLogP of 11.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-iodo-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 169044691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).