2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile

C160H92N4S8 — CID 158600374

IUPAC2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2cccc3sc4ccccc4c23)c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-c1ccc2sc3ccccc3c2c1.N#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)ccc1-c1cccc2sc3ccccc3c12
InChIInChI=1S/2C43H25NS2.2C37H21NS2/c44-26-29-10-1-2-11-30(29)31-12-3-4-13-32(31)37-24-27(28-21-23-41-38(25-28)34-14-5-7-17-39(34)45-41)20-22-33(37)35-16-9-19-42-43(35)36-15-6-8-18-40(36)46-42;44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)37-24-29(30-18-20-41-38(25-30)34-11-4-6-14-39(34)45-41)17-19-33(37)35-13-8-16-42-43(35)36-12-5-7-15-40(36)46-42;38-22-23-6-5-7-26(18-23)32-19-24(25-13-16-31-29-8-1-3-10-34(29)40-37(31)21-25)12-15-28(32)27-14-17-36-33(20-27)30-9-2-4-11-35(30)39-36;38-22-26-7-1-2-8-27(26)32-19-23(24-14-17-31-29-9-3-5-11-34(29)40-37(31)21-24)13-16-28(32)25-15-18-36-33(20-25)30-10-4-6-12-35(30)39-36/h2*1-25H;2*1-21H
InChIKeyHVODOBXPIVUGCP-UHFFFAOYSA-N
MW2327.06 g/mol
LogP48.51
Rot. Bonds14

About 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile

2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile (PubChem CID 158600374) has the molecular formula C160H92N4S8 and a molecular weight of 2327.06 g/mol. Its IUPAC name is 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile.

Molecular Properties

Compound Name2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
PubChem CID158600374
Molecular FormulaC160H92N4S8
Molecular Weight2327.06 g/mol
Exact Mass2324.51
IUPAC Name2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2cccc3sc4ccccc4c23)c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-c1ccc2sc3ccccc3c2c1.N#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)ccc1-c1cccc2sc3ccccc3c12
InChIInChI=1S/2C43H25NS2.2C37H21NS2/c44-26-29-10-1-2-11-30(29)31-12-3-4-13-32(31)37-24-27(28-21-23-41-38(25-28)34-14-5-7-17-39(34)45-41)20-22-33(37)35-16-9-19-42-43(35)36-15-6-8-18-40(36)46-42;44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)37-24-29(30-18-20-41-38(25-30)34-11-4-6-14-39(34)45-41)17-19-33(37)35-13-8-16-42-43(35)36-12-5-7-15-40(36)46-42;38-22-23-6-5-7-26(18-23)32-19-24(25-13-16-31-29-8-1-3-10-34(29)40-37(31)21-25)12-15-28(32)27-14-17-36-33(20-27)30-9-2-4-11-35(30)39-36;38-22-26-7-1-2-8-27(26)32-19-23(24-14-17-31-29-9-3-5-11-34(29)40-37(31)21-24)13-16-28(32)25-15-18-36-33(20-25)30-10-4-6-12-35(30)39-36/h2*1-25H;2*1-21H
InChIKeyHVODOBXPIVUGCP-UHFFFAOYSA-N
XLogP48.51
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002327.06
LogP ≤ 548.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile with MolForge

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Related Compounds

2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2,5-di(dibenzothiophen-1-yl)-4-phenylphenyl]benzonitrile;3-[3,6-di(dibenzothiophen-1-yl)-2-phenylphenyl]benzonitrile;2-[3-[2,5-di(dibenzothiophen-1-yl)phenyl]-5-phenylphenyl]benzonitrile
CID 159314364
7-[3-(2-cyanophenyl)-4-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile;2-(5-dibenzothiophen-3-yl-2-dibenzothiophen-4-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 158907553
7-[3-(2-cyanophenyl)-4-dibenzothiophen-4-ylphenyl]dibenzothiophene-2-carbonitrile;3-(5-dibenzothiophen-3-yl-2-dibenzothiophen-4-ylphenyl)benzonitrile;2-[2-(5-dibenzothiophen-3-yl-2-dibenzothiophen-4-ylphenyl)phenyl]benzonitrile;3-(5-dibenzothiophen-3-yl-2-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile
CID 158029124
3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
CID 146354114
3-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 146354841
2-[2-(5-dibenzothiophen-1-yl-2-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile
CID 146354847
3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146354103
3-[2,5-di(dibenzothiophen-2-yl)phenyl]-5-phenylbenzonitrile
CID 146354226
8-[4-(2-cyanophenyl)-2-dibenzothiophen-2-ylphenyl]dibenzofuran-2-carbonitrile;5-dibenzofuran-2-yl-4-dibenzothiophen-3-yl-2-phenylbenzonitrile;2-(4-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-2-phenylphenyl)benzonitrile;3-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
CID 160866332
8-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354620
3-[2,5-di(dibenzothiophen-2-yl)phenyl]benzonitrile
CID 146355551
2-(3-cyanophenyl)-6-dibenzothiophen-1-yl-4-dibenzothiophen-2-ylbenzonitrile
CID 146354116

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile?
The IUPAC name of 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile (CID 158600374) is 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile.
What is the SMILES notation for 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile?
The canonical SMILES for 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile is N#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2cccc3sc4ccccc4c23)c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-c1ccc2sc3ccccc3c2c1.N#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)ccc1-c1cccc2sc3ccccc3c12.
What is the InChIKey of 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile?
The InChIKey is HVODOBXPIVUGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H25NS2.2C37H21NS2/c44-26-29-10-1-2-11-30(29)31-12-3-4-13-32(31)37-24-27(28-21-23-41-38(25-28)34-14-5-7-17-39(34)45-41)20-22-33(37)35-16-9-19-42-43(35)36-15-6-8-18-40(36)46-42;44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)37-24-29(30-18-20-41-38(25-30)34-11-4-6-14-39(34)45-41)17-19-33(37)35-13-8-16-42-43(35)36-12-5-7-15-40(36)46-42;38-22-23-6-5-7-26(18-23)32-19-24(25-13-16-31-29-8-1-3-10-34(29)40-37(31)21-25)12-15-28(32)27-14-17-36-33(20-27)30-9-2-4-11-35(30)39-36;38-22-26-7-1-2-8-27(26)32-19-23(24-14-17-31-29-9-3-5-11-34(29)40-37(31)21-24)13-16-28(32)25-15-18-36-33(20-25)30-10-4-6-12-35(30)39-36/h2*1-25H;2*1-21H.
What are the key properties of 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile?
2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile has a molecular weight of 2327.06 g/mol, XLogP of 48.51, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile;2-[2-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile;3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile is sourced from PubChem (CID 158600374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).