[9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane

C60H42N2Si — CID 170514986

IUPAC[9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)ccc43)c2)cc1
InChIInChI=1S/C60H42N2Si/c1-6-20-43(21-7-1)45-34-37-51(44-22-8-2-9-23-44)59(40-45)62-57-33-19-17-31-53(57)55-41-46(35-39-58(55)62)61-56-32-18-16-30-52(56)54-38-36-50(42-60(54)61)63(47-24-10-3-11-25-47,48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-42H
InChIKeyBRUCFDPKGAJUOT-UHFFFAOYSA-N
MW819.10 g/mol
LogP12.59
Rot. Bonds8

About [9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane

[9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane (PubChem CID 170514986) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is [9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane
PubChem CID170514986
Molecular FormulaC60H42N2Si
Molecular Weight819.10 g/mol
Exact Mass818.31
IUPAC Name[9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)ccc43)c2)cc1
InChIInChI=1S/C60H42N2Si/c1-6-20-43(21-7-1)45-34-37-51(44-22-8-2-9-23-44)59(40-45)62-57-33-19-17-31-53(57)55-41-46(35-39-58(55)62)61-56-32-18-16-30-52(56)54-38-36-50(42-60(54)61)63(47-24-10-3-11-25-47,48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-42H
InChIKeyBRUCFDPKGAJUOT-UHFFFAOYSA-N
XLogP12.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.10
LogP ≤ 512.59
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

[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170516383
triphenyl-[9-[6-phenyl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170515763
triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813
[9-[9-(2,4-diphenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170516153
triphenyl-[6-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515246
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
triphenyl-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515042
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
[9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane
CID 174149154
triphenyl-[4-[1-[3-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588416
triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516202

Frequently Asked Questions

What is the IUPAC name of [9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane?
The IUPAC name of [9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane (CID 170514986) is [9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane.
What is the SMILES notation for [9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane?
The canonical SMILES for [9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane is c1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)ccc43)c2)cc1.
What is the InChIKey of [9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane?
The InChIKey is BRUCFDPKGAJUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-6-20-43(21-7-1)45-34-37-51(44-22-8-2-9-23-44)59(40-45)62-57-33-19-17-31-53(57)55-41-46(35-39-58(55)62)61-56-32-18-16-30-52(56)54-38-36-50(42-60(54)61)63(47-24-10-3-11-25-47,48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-42H.
What are the key properties of [9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane?
[9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane has a molecular weight of 819.10 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 170514986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).