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

C161H91N5O4S4 — CID 160866332

IUPAC8-[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
SMILESN#Cc1cc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc3c(c2)sc2ccccc23)cc1-c1ccccc1.N#Cc1cc(-c2ccccc2)cc(-c2ccc(-c3ccc4oc5ccccc5c4c3)c(-c3ccc4sc5ccccc5c4c3)c2)c1.N#Cc1ccc2oc3ccc(-c4ccc(-c5ccccc5C#N)cc4-c4ccc5sc6ccccc6c5c4)cc3c2c1.N#Cc1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccc3oc4ccccc4c3c2)cc1-c1ccccc1
InChIInChI=1S/2C43H25NOS.C38H20N2OS.C37H21NOS/c44-26-27-20-32(28-8-2-1-3-9-28)22-33(21-27)29-14-17-34(30-15-18-41-38(24-30)35-10-4-6-12-40(35)45-41)37(23-29)31-16-19-43-39(25-31)36-11-5-7-13-42(36)46-43;44-26-30-12-4-5-13-31(30)37-25-36(29-19-21-43-39(23-29)33-15-7-9-17-42(33)46-43)35(24-34(37)27-10-2-1-3-11-27)28-18-20-41-38(22-28)32-14-6-8-16-40(32)45-41;39-21-23-9-14-35-32(17-23)33-19-25(11-15-36(33)41-35)29-13-10-24(28-6-2-1-5-27(28)22-40)18-31(29)26-12-16-38-34(20-26)30-7-3-4-8-37(30)42-38;38-22-26-19-31(24-15-17-35-33(18-24)27-10-4-6-12-34(27)39-35)32(21-30(26)23-8-2-1-3-9-23)25-14-16-29-28-11-5-7-13-36(28)40-37(29)20-25/h2*1-25H;1-20H;1-21H
InChIKeySLDXLUSPSWUQCG-UHFFFAOYSA-N
MW2287.80 g/mol
LogP46.51
Rot. Bonds14

About 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

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 (PubChem CID 160866332) has the molecular formula C161H91N5O4S4 and a molecular weight of 2287.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID160866332
Molecular FormulaC161H91N5O4S4
Molecular Weight2287.80 g/mol
Exact Mass2285.60
IUPAC Name8-[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
SMILESN#Cc1cc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc3c(c2)sc2ccccc23)cc1-c1ccccc1.N#Cc1cc(-c2ccccc2)cc(-c2ccc(-c3ccc4oc5ccccc5c4c3)c(-c3ccc4sc5ccccc5c4c3)c2)c1.N#Cc1ccc2oc3ccc(-c4ccc(-c5ccccc5C#N)cc4-c4ccc5sc6ccccc6c5c4)cc3c2c1.N#Cc1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccc3oc4ccccc4c3c2)cc1-c1ccccc1
InChIInChI=1S/2C43H25NOS.C38H20N2OS.C37H21NOS/c44-26-27-20-32(28-8-2-1-3-9-28)22-33(21-27)29-14-17-34(30-15-18-41-38(24-30)35-10-4-6-12-40(35)45-41)37(23-29)31-16-19-43-39(25-31)36-11-5-7-13-42(36)46-43;44-26-30-12-4-5-13-31(30)37-25-36(29-19-21-43-39(23-29)33-15-7-9-17-42(33)46-43)35(24-34(37)27-10-2-1-3-11-27)28-18-20-41-38(22-28)32-14-6-8-16-40(32)45-41;39-21-23-9-14-35-32(17-23)33-19-25(11-15-36(33)41-35)29-13-10-24(28-6-2-1-5-27(28)22-40)18-31(29)26-12-16-38-34(20-26)30-7-3-4-8-37(30)42-38;38-22-26-19-31(24-15-17-35-33(18-24)27-10-4-6-12-34(27)39-35)32(21-30(26)23-8-2-1-3-9-23)25-14-16-29-28-11-5-7-13-36(28)40-37(29)20-25/h2*1-25H;1-20H;1-21H
InChIKeySLDXLUSPSWUQCG-UHFFFAOYSA-N
XLogP46.51
TPSA171.51 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002287.80
LogP ≤ 546.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

8-[3-(2-cyanophenyl)-4-dibenzothiophen-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355181
7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile
CID 146355177
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
8-[3-(2-cyanophenyl)-4-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile;2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)benzonitrile;3-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)benzonitrile;2-[2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)phenyl]benzonitrile;3-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-5-phenylbenzonitrile
CID 157239816
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677
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
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-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355675
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
2-(2-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;4-(2-cyanophenyl)-2-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,2-dicarbonitrile;5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 160768562
3-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 146354841
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc3c(c2)sc2ccccc23)cc1-c1ccccc1.N#Cc1cc(-c2ccccc2)cc(-c2ccc(-c3ccc4oc5ccccc5c4c3)c(-c3ccc4sc5ccccc5c4c3)c2)c1.N#Cc1ccc2oc3ccc(-c4ccc(-c5ccccc5C#N)cc4-c4ccc5sc6ccccc6c5c4)cc3c2c1.N#Cc1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccc3oc4ccccc4c3c2)cc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is SLDXLUSPSWUQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H25NOS.C38H20N2OS.C37H21NOS/c44-26-27-20-32(28-8-2-1-3-9-28)22-33(21-27)29-14-17-34(30-15-18-41-38(24-30)35-10-4-6-12-40(35)45-41)37(23-29)31-16-19-43-39(25-31)36-11-5-7-13-42(36)46-43;44-26-30-12-4-5-13-31(30)37-25-36(29-19-21-43-39(23-29)33-15-7-9-17-42(33)46-43)35(24-34(37)27-10-2-1-3-11-27)28-18-20-41-38(22-28)32-14-6-8-16-40(32)45-41;39-21-23-9-14-35-32(17-23)33-19-25(11-15-36(33)41-35)29-13-10-24(28-6-2-1-5-27(28)22-40)18-31(29)26-12-16-38-34(20-26)30-7-3-4-8-37(30)42-38;38-22-26-19-31(24-15-17-35-33(18-24)27-10-4-6-12-34(27)39-35)32(21-30(26)23-8-2-1-3-9-23)25-14-16-29-28-11-5-7-13-36(28)40-37(29)20-25/h2*1-25H;1-20H;1-21H.
What are the key properties of 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?
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 has a molecular weight of 2287.80 g/mol, XLogP of 46.51, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160866332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).