[9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane

C60H42N2Si — CID 170515008

IUPAC[9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)cc32)cc1
InChIInChI=1S/C60H42N2Si/c1-6-21-43(22-7-1)50-33-20-34-51(44-23-8-2-9-24-44)60(50)62-57-36-19-17-32-53(57)54-39-37-45(41-58(54)62)61-56-35-18-16-31-52(56)55-40-38-49(42-59(55)61)63(46-25-10-3-11-26-46,47-27-12-4-13-28-47)48-29-14-5-15-30-48/h1-42H
InChIKeyUIKOFBSJOOOGQK-UHFFFAOYSA-N
MW819.10 g/mol
LogP12.59
Rot. Bonds8

About [9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane

[9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane (PubChem CID 170515008) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is [9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
PubChem CID170515008
Molecular FormulaC60H42N2Si
Molecular Weight819.10 g/mol
Exact Mass818.31
IUPAC Name[9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)cc32)cc1
InChIInChI=1S/C60H42N2Si/c1-6-21-43(22-7-1)50-33-20-34-51(44-23-8-2-9-24-44)60(50)62-57-36-19-17-32-53(57)54-39-37-45(41-58(54)62)61-56-35-18-16-31-52(56)55-40-38-49(42-59(55)61)63(46-25-10-3-11-26-46,47-27-12-4-13-28-47)48-29-14-5-15-30-48/h1-42H
InChIKeyUIKOFBSJOOOGQK-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-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane
CID 171458588
triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516312
[9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170515569
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588700
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170516383
triphenyl-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515042
triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516202
triphenyl-[9-[6-phenyl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170515763
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 168762391
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
triphenyl-[6-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515246

Frequently Asked Questions

What is the IUPAC name of [9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?
The IUPAC name of [9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane (CID 170515008) is [9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane.
What is the SMILES notation for [9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?
The canonical SMILES for [9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane is c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)cc32)cc1.
What is the InChIKey of [9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?
The InChIKey is UIKOFBSJOOOGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-6-21-43(22-7-1)50-33-20-34-51(44-23-8-2-9-24-44)60(50)62-57-36-19-17-32-53(57)54-39-37-45(41-58(54)62)61-56-35-18-16-31-52(56)55-40-38-49(42-59(55)61)63(46-25-10-3-11-26-46,47-27-12-4-13-28-47)48-29-14-5-15-30-48/h1-42H.
What are the key properties of [9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?
[9-[9-(2,6-diphenylphenyl)carbazol-2-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-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 170515008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).