3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane

C106H68N8OSSi2 — CID 159692737

IUPAC3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2oc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2ncnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C55H35N3OSi.C51H33N5SSi/c56-36-37-32-39(58-51-27-13-9-22-45(51)48-35-38(30-31-52(48)58)57-49-25-11-7-20-43(49)44-21-8-12-26-50(44)57)34-42(33-37)60(40-16-3-1-4-17-40,41-18-5-2-6-19-41)54-29-15-24-47-46-23-10-14-28-53(46)59-55(47)54;1-3-16-35(17-4-1)58(36-18-5-2-6-19-36,48-29-15-24-41-40-23-10-14-28-47(40)57-49(41)48)51-53-33-52-50(54-51)56-45-27-13-9-22-39(45)42-32-34(30-31-46(42)56)55-43-25-11-7-20-37(43)38-21-8-12-26-44(38)55/h1-35H;1-33H
InChIKeyMWPTYOAQFVZTBD-UHFFFAOYSA-N
MW1558.00 g/mol
LogP20.84
Rot. Bonds12

About 3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane

3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane (PubChem CID 159692737) has the molecular formula C106H68N8OSSi2 and a molecular weight of 1558.00 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane.

Molecular Properties

Compound Name3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane
PubChem CID159692737
Molecular FormulaC106H68N8OSSi2
Molecular Weight1558.00 g/mol
Exact Mass1556.48
IUPAC Name3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2oc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2ncnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C55H35N3OSi.C51H33N5SSi/c56-36-37-32-39(58-51-27-13-9-22-45(51)48-35-38(30-31-52(48)58)57-49-25-11-7-20-43(49)44-21-8-12-26-50(44)57)34-42(33-37)60(40-16-3-1-4-17-40,41-18-5-2-6-19-41)54-29-15-24-47-46-23-10-14-28-53(46)59-55(47)54;1-3-16-35(17-4-1)58(36-18-5-2-6-19-36,48-29-15-24-41-40-23-10-14-28-47(40)57-49(41)48)51-53-33-52-50(54-51)56-45-27-13-9-22-39(45)42-32-34(30-31-46(42)56)55-43-25-11-7-20-37(43)38-21-8-12-26-44(38)55/h1-35H;1-33H
InChIKeyMWPTYOAQFVZTBD-UHFFFAOYSA-N
XLogP20.84
TPSA95.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001558.00
LogP ≤ 520.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;3-carbazol-9-yl-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzothiophen-4-yl-diphenylsilane
CID 161076535
[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane
CID 161463718
dibenzofuran-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane;dibenzofuran-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane;dibenzothiophen-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 159706684
[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane
CID 140924385
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane
CID 140811709
9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 140842601
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
CID 154007185
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007179
(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene
CID 161297195
diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane
CID 140811572

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane?
The IUPAC name of 3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane (CID 159692737) is 3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane.
What is the SMILES notation for 3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane?
The canonical SMILES for 3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane is N#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2oc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2ncnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane?
The InChIKey is MWPTYOAQFVZTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3OSi.C51H33N5SSi/c56-36-37-32-39(58-51-27-13-9-22-45(51)48-35-38(30-31-52(48)58)57-49-25-11-7-20-43(49)44-21-8-12-26-50(44)57)34-42(33-37)60(40-16-3-1-4-17-40,41-18-5-2-6-19-41)54-29-15-24-47-46-23-10-14-28-53(46)59-55(47)54;1-3-16-35(17-4-1)58(36-18-5-2-6-19-36,48-29-15-24-41-40-23-10-14-28-47(40)57-49(41)48)51-53-33-52-50(54-51)56-45-27-13-9-22-39(45)42-32-34(30-31-46(42)56)55-43-25-11-7-20-37(43)38-21-8-12-26-44(38)55/h1-35H;1-33H.
What are the key properties of 3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane?
3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane has a molecular weight of 1558.00 g/mol, XLogP of 20.84, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylcarbazol-9-yl)-5-[dibenzofuran-4-yl(diphenyl)silyl]benzonitrile;[4-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-dibenzothiophen-4-yl-diphenylsilane is sourced from PubChem (CID 159692737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).