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

C161H91N5S8 — CID 158029124

IUPAC7-[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
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)c1.N#Cc1ccc2sc3cc(-c4ccc(-c5cccc6c5sc5ccccc56)c(-c5ccccc5C#N)c4)ccc3c2c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)c1.N#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/2C43H25NS2.C38H20N2S2.C37H21NS2/c44-26-29-10-1-2-11-30(29)31-12-3-4-13-32(31)39-24-27(28-21-23-36-34-14-5-7-18-40(34)45-42(36)25-28)20-22-33(39)37-16-9-17-38-35-15-6-8-19-41(35)46-43(37)38;44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)39-24-29(30-18-20-36-34-11-4-6-15-40(34)45-42(36)25-30)17-19-33(39)37-13-8-14-38-35-12-5-7-16-41(35)46-43(37)38;39-21-23-12-17-36-34(18-23)30-16-14-25(20-37(30)41-36)24-13-15-28(33(19-24)27-7-2-1-6-26(27)22-40)31-9-5-10-32-29-8-3-4-11-35(29)42-38(31)32;38-22-23-7-5-8-26(19-23)33-20-24(25-16-18-30-28-9-1-3-13-34(28)39-36(30)21-25)15-17-27(33)31-11-6-12-32-29-10-2-4-14-35(29)40-37(31)32/h2*1-25H;1-20H;1-21H
InChIKeyFGYVJYUNLRYIMN-UHFFFAOYSA-N
MW2352.07 g/mol
LogP48.39
Rot. Bonds14

About 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

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 (PubChem CID 158029124) has the molecular formula C161H91N5S8 and a molecular weight of 2352.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID158029124
Molecular FormulaC161H91N5S8
Molecular Weight2352.07 g/mol
Exact Mass2349.50
IUPAC Name7-[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
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)c1.N#Cc1ccc2sc3cc(-c4ccc(-c5cccc6c5sc5ccccc56)c(-c5ccccc5C#N)c4)ccc3c2c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)c1.N#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/2C43H25NS2.C38H20N2S2.C37H21NS2/c44-26-29-10-1-2-11-30(29)31-12-3-4-13-32(31)39-24-27(28-21-23-36-34-14-5-7-18-40(34)45-42(36)25-28)20-22-33(39)37-16-9-17-38-35-15-6-8-19-41(35)46-43(37)38;44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)39-24-29(30-18-20-36-34-11-4-6-15-40(34)45-42(36)25-30)17-19-33(39)37-13-8-14-38-35-12-5-7-16-41(35)46-43(37)38;39-21-23-12-17-36-34(18-23)30-16-14-25(20-37(30)41-36)24-13-15-28(33(19-24)27-7-2-1-6-26(27)22-40)31-9-5-10-32-29-8-3-4-11-35(29)42-38(31)32;38-22-23-7-5-8-26(19-23)33-20-24(25-16-18-30-28-9-1-3-13-34(28)39-36(30)21-25)15-17-27(33)31-11-6-12-32-29-10-2-4-14-35(29)40-37(31)32/h2*1-25H;1-20H;1-21H
InChIKeyFGYVJYUNLRYIMN-UHFFFAOYSA-N
XLogP48.39
TPSA118.95 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002352.07
LogP ≤ 548.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

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
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
6-[3-(2-cyanophenyl)-4-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354094
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
3-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 146354841
6-[3-(3-cyanophenyl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354725
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
2-(3-cyanophenyl)-4-dibenzothiophen-3-yl-6-dibenzothiophen-4-ylbenzonitrile
CID 146355505
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 159559181
8-[3-(8-cyanodibenzothiophen-3-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 146354955
3-[2,5-di(dibenzothiophen-2-yl)phenyl]-5-phenylbenzonitrile
CID 146354226

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)c1.N#Cc1ccc2sc3cc(-c4ccc(-c5cccc6c5sc5ccccc56)c(-c5ccccc5C#N)c4)ccc3c2c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2cccc3c2sc2ccccc23)c1.N#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccc1-c1cccc2c1sc1ccccc12.
What is the InChIKey of 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?
The InChIKey is FGYVJYUNLRYIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H25NS2.C38H20N2S2.C37H21NS2/c44-26-29-10-1-2-11-30(29)31-12-3-4-13-32(31)39-24-27(28-21-23-36-34-14-5-7-18-40(34)45-42(36)25-28)20-22-33(39)37-16-9-17-38-35-15-6-8-19-41(35)46-43(37)38;44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)39-24-29(30-18-20-36-34-11-4-6-15-40(34)45-42(36)25-30)17-19-33(39)37-13-8-14-38-35-12-5-7-16-41(35)46-43(37)38;39-21-23-12-17-36-34(18-23)30-16-14-25(20-37(30)41-36)24-13-15-28(33(19-24)27-7-2-1-6-26(27)22-40)31-9-5-10-32-29-8-3-4-11-35(29)42-38(31)32;38-22-23-7-5-8-26(19-23)33-20-24(25-16-18-30-28-9-1-3-13-34(28)39-36(30)21-25)15-17-27(33)31-11-6-12-32-29-10-2-4-14-35(29)40-37(31)32/h2*1-25H;1-20H;1-21H.
What are the key properties of 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?
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 has a molecular weight of 2352.07 g/mol, XLogP of 48.39, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158029124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).