7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile

C204H116N6O5S5 — CID 159656811

IUPAC7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2c(-c3ccc4c(c3)sc3ccccc34)cccc2-c2cccc3c2oc2ccccc23)c1.N#Cc1cccc(-c2c(-c3ccc4c(c3)oc3ccc(C#N)cc34)cccc2-c2cccc3c2sc2ccccc23)c1.N#Cc1cccc(-c2c(-c3ccc4c(c3)sc3ccccc34)cccc2-c2cccc3c2oc2ccccc23)c1.N#Cc1ccccc1-c1c(-c2ccc3c(c2)oc2ccccc23)cccc1-c1cccc2c1sc1ccccc12.N#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2c(-c3ccc4c(c3)oc3ccccc34)cccc2-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C49H29NOS.C43H25NOS.C38H20N2OS.2C37H21NOS/c50-30-34-13-4-5-14-38(34)36-25-35(31-11-2-1-3-12-31)26-37(27-36)49-39(32-21-23-42-41-15-6-8-19-45(41)51-46(42)28-32)17-10-18-40(49)33-22-24-44-43-16-7-9-20-47(43)52-48(44)29-33;44-26-27-22-30(28-10-2-1-3-11-28)24-31(23-27)42-32(29-20-21-35-34-13-5-7-19-40(34)46-41(35)25-29)14-8-15-36(42)38-17-9-16-37-33-12-4-6-18-39(33)45-43(37)38;39-21-23-6-3-7-26(18-23)37-27(25-15-16-28-33-19-24(22-40)14-17-34(33)41-35(28)20-25)9-4-10-30(37)32-12-5-11-31-29-8-1-2-13-36(29)42-38(31)32;38-22-23-8-5-9-25(20-23)36-26(24-18-19-29-28-11-2-4-17-34(28)40-35(29)21-24)12-6-13-30(36)32-15-7-14-31-27-10-1-3-16-33(27)39-37(31)32;38-22-24-9-1-2-10-26(24)36-25(23-19-20-28-27-11-3-5-17-33(27)39-34(28)21-23)13-7-14-30(36)32-16-8-15-31-29-12-4-6-18-35(29)40-37(31)32/h1-29H;1-25H;1-20H;2*1-21H
InChIKeyMSGYDWREOLJDIV-UHFFFAOYSA-N
MW2891.54 g/mol
LogP59.01
Rot. Bonds18

About 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile

7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile (PubChem CID 159656811) has the molecular formula C204H116N6O5S5 and a molecular weight of 2891.54 g/mol. Its IUPAC name is 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile.

Molecular Properties

Compound Name7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile
PubChem CID159656811
Molecular FormulaC204H116N6O5S5
Molecular Weight2891.54 g/mol
Exact Mass2888.76
IUPAC Name7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2c(-c3ccc4c(c3)sc3ccccc34)cccc2-c2cccc3c2oc2ccccc23)c1.N#Cc1cccc(-c2c(-c3ccc4c(c3)oc3ccc(C#N)cc34)cccc2-c2cccc3c2sc2ccccc23)c1.N#Cc1cccc(-c2c(-c3ccc4c(c3)sc3ccccc34)cccc2-c2cccc3c2oc2ccccc23)c1.N#Cc1ccccc1-c1c(-c2ccc3c(c2)oc2ccccc23)cccc1-c1cccc2c1sc1ccccc12.N#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2c(-c3ccc4c(c3)oc3ccccc34)cccc2-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C49H29NOS.C43H25NOS.C38H20N2OS.2C37H21NOS/c50-30-34-13-4-5-14-38(34)36-25-35(31-11-2-1-3-12-31)26-37(27-36)49-39(32-21-23-42-41-15-6-8-19-45(41)51-46(42)28-32)17-10-18-40(49)33-22-24-44-43-16-7-9-20-47(43)52-48(44)29-33;44-26-27-22-30(28-10-2-1-3-11-28)24-31(23-27)42-32(29-20-21-35-34-13-5-7-19-40(34)46-41(35)25-29)14-8-15-36(42)38-17-9-16-37-33-12-4-6-18-39(33)45-43(37)38;39-21-23-6-3-7-26(18-23)37-27(25-15-16-28-33-19-24(22-40)14-17-34(33)41-35(28)20-25)9-4-10-30(37)32-12-5-11-31-29-8-1-2-13-36(29)42-38(31)32;38-22-23-8-5-9-25(20-23)36-26(24-18-19-29-28-11-2-4-17-34(28)40-35(29)21-24)12-6-13-30(36)32-15-7-14-31-27-10-1-3-16-33(27)39-37(31)32;38-22-24-9-1-2-10-26(24)36-25(23-19-20-28-27-11-3-5-17-33(27)39-34(28)21-23)13-7-14-30(36)32-16-8-15-31-29-12-4-6-18-35(29)40-37(31)32/h1-29H;1-25H;1-20H;2*1-21H
InChIKeyMSGYDWREOLJDIV-UHFFFAOYSA-N
XLogP59.01
TPSA208.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002891.54
LogP ≤ 559.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile with MolForge

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Related Compounds

2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 146355085
3-(3-dibenzofuran-3-yl-5-dibenzothiophen-4-ylphenyl)benzonitrile
CID 146354219
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
2-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylbenzonitrile;2-[3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylphenyl]benzonitrile
CID 161466472
3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 146355644
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
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353959
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
3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile
CID 146355648
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-3-ylphenyl)benzene-1,4-dicarbonitrile
CID 146355597
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile?
The IUPAC name of 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile (CID 159656811) is 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile.
What is the SMILES notation for 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile?
The canonical SMILES for 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile is N#Cc1cc(-c2ccccc2)cc(-c2c(-c3ccc4c(c3)sc3ccccc34)cccc2-c2cccc3c2oc2ccccc23)c1.N#Cc1cccc(-c2c(-c3ccc4c(c3)oc3ccc(C#N)cc34)cccc2-c2cccc3c2sc2ccccc23)c1.N#Cc1cccc(-c2c(-c3ccc4c(c3)sc3ccccc34)cccc2-c2cccc3c2oc2ccccc23)c1.N#Cc1ccccc1-c1c(-c2ccc3c(c2)oc2ccccc23)cccc1-c1cccc2c1sc1ccccc12.N#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2c(-c3ccc4c(c3)oc3ccccc34)cccc2-c2ccc3c(c2)sc2ccccc23)c1.
What is the InChIKey of 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile?
The InChIKey is MSGYDWREOLJDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NOS.C43H25NOS.C38H20N2OS.2C37H21NOS/c50-30-34-13-4-5-14-38(34)36-25-35(31-11-2-1-3-12-31)26-37(27-36)49-39(32-21-23-42-41-15-6-8-19-45(41)51-46(42)28-32)17-10-18-40(49)33-22-24-44-43-16-7-9-20-47(43)52-48(44)29-33;44-26-27-22-30(28-10-2-1-3-11-28)24-31(23-27)42-32(29-20-21-35-34-13-5-7-19-40(34)46-41(35)25-29)14-8-15-36(42)38-17-9-16-37-33-12-4-6-18-39(33)45-43(37)38;39-21-23-6-3-7-26(18-23)37-27(25-15-16-28-33-19-24(22-40)14-17-34(33)41-35(28)20-25)9-4-10-30(37)32-12-5-11-31-29-8-1-2-13-36(29)42-38(31)32;38-22-23-8-5-9-25(20-23)36-26(24-18-19-29-28-11-2-4-17-34(28)40-35(29)21-24)12-6-13-30(36)32-15-7-14-31-27-10-1-3-16-33(27)39-37(31)32;38-22-24-9-1-2-10-26(24)36-25(23-19-20-28-27-11-3-5-17-33(27)39-34(28)21-23)13-7-14-30(36)32-16-8-15-31-29-12-4-6-18-35(29)40-37(31)32/h1-29H;1-25H;1-20H;2*1-21H.
What are the key properties of 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile?
7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile has a molecular weight of 2891.54 g/mol, XLogP of 59.01, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile is sourced from PubChem (CID 159656811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).