[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane

C70H47N3OSi — CID 168836289

IUPAC[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane
SMILESc1ccc(-c2cccc([Si](c3cccc(-c4ccccc4)c3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc(-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1
InChIInChI=1S/C70H47N3OSi/c1-4-20-48(21-5-1)51-26-16-30-56(42-51)75(57-31-17-27-52(43-57)49-22-6-2-7-23-49,58-32-18-28-53(44-58)50-24-8-3-9-25-50)59-33-19-29-54(45-59)64-47-65(55-40-41-69-63(46-55)62-36-12-15-39-68(62)74-69)72-70(71-64)73-66-37-13-10-34-60(66)61-35-11-14-38-67(61)73/h1-47H
InChIKeyVKZMRENVMZRMOI-UHFFFAOYSA-N
MW974.25 g/mol
LogP15.19
Rot. Bonds10

About [3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane

[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane (PubChem CID 168836289) has the molecular formula C70H47N3OSi and a molecular weight of 974.25 g/mol. Its IUPAC name is [3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane.

Molecular Properties

Compound Name[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane
PubChem CID168836289
Molecular FormulaC70H47N3OSi
Molecular Weight974.25 g/mol
Exact Mass973.35
IUPAC Name[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane
SMILESc1ccc(-c2cccc([Si](c3cccc(-c4ccccc4)c3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc(-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1
InChIInChI=1S/C70H47N3OSi/c1-4-20-48(21-5-1)51-26-16-30-56(42-51)75(57-31-17-27-52(43-57)49-22-6-2-7-23-49,58-32-18-28-53(44-58)50-24-8-3-9-25-50)59-33-19-29-54(45-59)64-47-65(55-40-41-69-63(46-55)62-36-12-15-39-68(62)74-69)72-70(71-64)73-66-37-13-10-34-60(66)61-35-11-14-38-67(61)73/h1-47H
InChIKeyVKZMRENVMZRMOI-UHFFFAOYSA-N
XLogP15.19
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.25
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[6-dibenzofuran-4-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836422
[3-[6-dibenzofuran-4-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836375
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-2-yl-diphenylsilane
CID 164757098
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836287
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158561754
25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene
CID 129142368
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
[3-[3-(7-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-triphenylsilane
CID 140702812
7-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 134237088

Frequently Asked Questions

What is the IUPAC name of [3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane?
The IUPAC name of [3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane (CID 168836289) is [3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane.
What is the SMILES notation for [3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane?
The canonical SMILES for [3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3cccc(-c4ccccc4)c3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc(-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1.
What is the InChIKey of [3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane?
The InChIKey is VKZMRENVMZRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N3OSi/c1-4-20-48(21-5-1)51-26-16-30-56(42-51)75(57-31-17-27-52(43-57)49-22-6-2-7-23-49,58-32-18-28-53(44-58)50-24-8-3-9-25-50)59-33-19-29-54(45-59)64-47-65(55-40-41-69-63(46-55)62-36-12-15-39-68(62)74-69)72-70(71-64)73-66-37-13-10-34-60(66)61-35-11-14-38-67(61)73/h1-47H.
What are the key properties of [3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane?
[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane has a molecular weight of 974.25 g/mol, XLogP of 15.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane is sourced from PubChem (CID 168836289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).