[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane

C66H46N2Si — CID 168762532

IUPAC[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESc1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc32)cc1
InChIInChI=1S/C66H46N2Si/c1-7-24-47(25-8-1)59-45-54(69(51-30-13-4-14-31-51,52-32-15-5-16-33-52)53-34-17-6-18-35-53)46-60(48-26-9-2-10-27-48)66(59)68-63-41-22-20-37-57(63)61-44-49(42-43-64(61)68)55-38-23-39-58-56-36-19-21-40-62(56)67(65(55)58)50-28-11-3-12-29-50/h1-46H
InChIKeyQETMMAIIALTXJI-UHFFFAOYSA-N
MW895.19 g/mol
LogP14.26
Rot. Bonds9

About [3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane

[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 168762532) has the molecular formula C66H46N2Si and a molecular weight of 895.19 g/mol. Its IUPAC name is [3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane
PubChem CID168762532
Molecular FormulaC66H46N2Si
Molecular Weight895.19 g/mol
Exact Mass894.34
IUPAC Name[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESc1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc32)cc1
InChIInChI=1S/C66H46N2Si/c1-7-24-47(25-8-1)59-45-54(69(51-30-13-4-14-31-51,52-32-15-5-16-33-52)53-34-17-6-18-35-53)46-60(48-26-9-2-10-27-48)66(59)68-63-41-22-20-37-57(63)61-44-49(42-43-64(61)68)55-38-23-39-58-56-36-19-21-40-62(56)67(65(55)58)50-28-11-3-12-29-50/h1-46H
InChIKeyQETMMAIIALTXJI-UHFFFAOYSA-N
XLogP14.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.19
LogP ≤ 514.26
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

(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane
CID 168762634
[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
CID 168762506
[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane
CID 168762556
[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane
CID 168762469
[4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane
CID 168762466
[4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 168762463
[4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
CID 168762609
(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane
CID 168762611
[4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
CID 168762399
[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 168762391
(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 168762444
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937

Frequently Asked Questions

What is the IUPAC name of [3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 168762532) is [3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc32)cc1.
What is the InChIKey of [3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is QETMMAIIALTXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2Si/c1-7-24-47(25-8-1)59-45-54(69(51-30-13-4-14-31-51,52-32-15-5-16-33-52)53-34-17-6-18-35-53)46-60(48-26-9-2-10-27-48)66(59)68-63-41-22-20-37-57(63)61-44-49(42-43-64(61)68)55-38-23-39-58-56-36-19-21-40-62(56)67(65(55)58)50-28-11-3-12-29-50/h1-46H.
What are the key properties of [3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane?
[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 895.19 g/mol, XLogP of 14.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 168762532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).