triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane

C60H42N2Si — CID 170515084

IUPACtriphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
SMILESc1ccc(-c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)cc43)cc2)cc1
InChIInChI=1S/C60H42N2Si/c1-5-20-43(21-6-1)50-28-13-14-29-51(50)44-36-38-45(39-37-44)61-56-33-17-15-30-52(56)54-41-40-46(42-58(54)61)62-57-34-18-16-31-53(57)55-32-19-35-59(60(55)62)63(47-22-7-2-8-23-47,48-24-9-3-10-25-48)49-26-11-4-12-27-49/h1-42H
InChIKeyKQQLEMNQUPERRC-UHFFFAOYSA-N
MW819.10 g/mol
LogP12.59
Rot. Bonds8

About triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane

triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane (PubChem CID 170515084) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane.

Molecular Properties

Compound Nametriphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
PubChem CID170515084
Molecular FormulaC60H42N2Si
Molecular Weight819.10 g/mol
Exact Mass818.31
IUPAC Nametriphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
SMILESc1ccc(-c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)cc43)cc2)cc1
InChIInChI=1S/C60H42N2Si/c1-5-20-43(21-6-1)50-28-13-14-29-51(50)44-36-38-45(39-37-44)61-56-33-17-15-30-52(56)54-41-40-46(42-58(54)61)62-57-34-18-16-31-53(57)55-32-19-35-59(60(55)62)63(47-22-7-2-8-23-47,48-24-9-3-10-25-48)49-26-11-4-12-27-49/h1-42H
InChIKeyKQQLEMNQUPERRC-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

triphenyl-[9-[9-[2-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
CID 170516362
[9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
CID 170515733
triphenyl-[8-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170516013
[9-[9-(2,3-diphenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
CID 170515325
triphenyl-[9-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
CID 170515960
triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
CID 170515546
triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516312
[6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515996
triphenyl-[9-[8-phenyl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170515756
[8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
CID 170515630
triphenyl-[7-phenyl-9-(9-phenylcarbazol-1-yl)carbazol-1-yl]silane
CID 170515238
triphenyl-[9-[5-phenyl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane
CID 170515929

Frequently Asked Questions

What is the IUPAC name of triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane?
The IUPAC name of triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane (CID 170515084) is triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane.
What is the SMILES notation for triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane?
The canonical SMILES for triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane is c1ccc(-c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)cc43)cc2)cc1.
What is the InChIKey of triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane?
The InChIKey is KQQLEMNQUPERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-5-20-43(21-6-1)50-28-13-14-29-51(50)44-36-38-45(39-37-44)61-56-33-17-15-30-52(56)54-41-40-46(42-58(54)61)62-57-34-18-16-31-53(57)55-32-19-35-59(60(55)62)63(47-22-7-2-8-23-47,48-24-9-3-10-25-48)49-26-11-4-12-27-49/h1-42H.
What are the key properties of triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane?
triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane 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 triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane is sourced from PubChem (CID 170515084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).