[9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane

C54H38N2Si — CID 170516212

IUPAC[9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-c2cccc3c2c2c(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H38N2Si/c1-6-21-39(22-7-1)44-32-18-34-48-53(44)54-49(55(48)40-23-8-2-9-24-40)35-19-36-50(54)56-46-33-17-16-31-45(46)52-47(56)37-20-38-51(52)57(41-25-10-3-11-26-41,42-27-12-4-13-28-42)43-29-14-5-15-30-43/h1-38H
InChIKeyFANDNPLUXRZUTN-UHFFFAOYSA-N
MW743.00 g/mol
LogP10.93
Rot. Bonds7

About [9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane

[9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane (PubChem CID 170516212) has the molecular formula C54H38N2Si and a molecular weight of 743.00 g/mol. Its IUPAC name is [9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
PubChem CID170516212
Molecular FormulaC54H38N2Si
Molecular Weight743.00 g/mol
Exact Mass742.28
IUPAC Name[9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-c2cccc3c2c2c(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H38N2Si/c1-6-21-39(22-7-1)44-32-18-34-48-53(44)54-49(55(48)40-23-8-2-9-24-40)35-19-36-50(54)56-46-33-17-16-31-45(46)52-47(56)37-20-38-51(52)57(41-25-10-3-11-26-41,42-27-12-4-13-28-42)43-29-14-5-15-30-43/h1-38H
InChIKeyFANDNPLUXRZUTN-UHFFFAOYSA-N
XLogP10.93
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.00
LogP ≤ 510.93
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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Related Compounds

triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170516087
triphenyl-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170515887
triphenyl-[9-[5-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458587
[9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516363
triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane
CID 171457929
[8-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170515814
triphenyl-[9-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458608
diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 171458387
[9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane
CID 170515290
triphenyl-[8-phenyl-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane
CID 170515650
[9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane
CID 170515914
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516404

Frequently Asked Questions

What is the IUPAC name of [9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane?
The IUPAC name of [9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane (CID 170516212) is [9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane.
What is the SMILES notation for [9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane?
The canonical SMILES for [9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane is c1ccc(-c2cccc3c2c2c(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)cccc2n3-c2ccccc2)cc1.
What is the InChIKey of [9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane?
The InChIKey is FANDNPLUXRZUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-6-21-39(22-7-1)44-32-18-34-48-53(44)54-49(55(48)40-23-8-2-9-24-40)35-19-36-50(54)56-46-33-17-16-31-45(46)52-47(56)37-20-38-51(52)57(41-25-10-3-11-26-41,42-27-12-4-13-28-42)43-29-14-5-15-30-43/h1-38H.
What are the key properties of [9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane?
[9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane has a molecular weight of 743.00 g/mol, XLogP of 10.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 170516212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).