[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane

C66H46N2Si — CID 168762391

IUPAC[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
SMILESc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C66H46N2Si/c1-6-23-47(24-7-1)50-29-22-34-54(43-50)69(52-30-12-4-13-31-52,53-32-14-5-15-33-53)55-45-59(48-25-8-2-9-26-48)66(60(46-55)49-27-10-3-11-28-49)68-64-40-21-18-37-58(64)61-44-51(41-42-65(61)68)67-62-38-19-16-35-56(62)57-36-17-20-39-63(57)67/h1-46H
InChIKeyDZRKSHSGIIZODF-UHFFFAOYSA-N
MW895.19 g/mol
LogP14.26
Rot. Bonds9

About [4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane

[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 168762391) has the molecular formula C66H46N2Si and a molecular weight of 895.19 g/mol. Its IUPAC name is [4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

Compound Name[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
PubChem CID168762391
Molecular FormulaC66H46N2Si
Molecular Weight895.19 g/mol
Exact Mass894.34
IUPAC Name[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
SMILESc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C66H46N2Si/c1-6-23-47(24-7-1)50-29-22-34-54(43-50)69(52-30-12-4-13-31-52,53-32-14-5-15-33-53)55-45-59(48-25-8-2-9-26-48)66(60(46-55)49-27-10-3-11-28-49)68-64-40-21-18-37-58(64)61-44-51(41-42-65(61)68)67-62-38-19-16-35-56(62)57-36-17-20-39-63(57)67/h1-46H
InChIKeyDZRKSHSGIIZODF-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

[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane
CID 168762469
[6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane
CID 168762515
(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane
CID 168762611
[4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 168762463
[9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane
CID 168762404
[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane
CID 168762556
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025
[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
CID 168762506
(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 168762444
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 171457989
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702

Frequently Asked Questions

What is the IUPAC name of [4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane?
The IUPAC name of [4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane (CID 168762391) is [4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane.
What is the SMILES notation for [4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane?
The canonical SMILES for [4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of [4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane?
The InChIKey is DZRKSHSGIIZODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2Si/c1-6-23-47(24-7-1)50-29-22-34-54(43-50)69(52-30-12-4-13-31-52,53-32-14-5-15-33-53)55-45-59(48-25-8-2-9-26-48)66(60(46-55)49-27-10-3-11-28-49)68-64-40-21-18-37-58(64)61-44-51(41-42-65(61)68)67-62-38-19-16-35-56(62)57-36-17-20-39-63(57)67/h1-46H.
What are the key properties of [4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane?
[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane 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 [4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 168762391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).