2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile

C190H100N10O5S5 — CID 161473493

IUPAC2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3c(c2)sc2ccccc23)c(C#N)c1-c1ccccc1.N#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C#N)c(-c3ccc4c(c3)sc3ccccc34)c2)cc1.N#Cc1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)cc(-c3ccc4c(c3)oc3ccccc34)c2C#N)cc1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C#N)c(-c3ccc4c(c3)sc3ccccc34)c2)c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)sc3ccccc34)c2C#N)c1
InChIInChI=1S/5C38H20N2OS/c39-21-23-6-5-7-25(16-23)32-17-27(24-12-14-29-28-8-1-3-10-35(28)41-36(29)19-24)18-33(34(32)22-40)26-13-15-31-30-9-2-4-11-37(30)42-38(31)20-26;39-21-23-6-5-7-24(16-23)27-17-32(25-12-14-29-28-8-1-3-10-35(28)41-36(29)19-25)34(22-40)33(18-27)26-13-15-31-30-9-2-4-11-37(30)42-38(31)20-26;39-21-23-9-11-24(12-10-23)32-17-27(25-13-16-31-30-6-2-4-8-37(30)42-38(31)20-25)18-33(34(32)22-40)26-14-15-29-28-5-1-3-7-35(28)41-36(29)19-26;39-21-23-9-11-24(12-10-23)27-17-32(25-13-15-29-28-5-1-3-7-35(28)41-36(29)19-25)34(22-40)33(18-27)26-14-16-31-30-6-2-4-8-37(30)42-38(31)20-26;39-21-32-30(24-14-16-27-26-10-4-6-12-34(26)41-35(27)18-24)20-31(33(22-40)38(32)23-8-2-1-3-9-23)25-15-17-29-28-11-5-7-13-36(28)42-37(29)19-25/h5*1-20H
InChIKeyWDKAKRZESSCSMX-UHFFFAOYSA-N
MW2763.29 g/mol
LogP53.49
Rot. Bonds15

About 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile

2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile (PubChem CID 161473493) has the molecular formula C190H100N10O5S5 and a molecular weight of 2763.29 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile
PubChem CID161473493
Molecular FormulaC190H100N10O5S5
Molecular Weight2763.29 g/mol
Exact Mass2760.65
IUPAC Name2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3c(c2)sc2ccccc23)c(C#N)c1-c1ccccc1.N#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C#N)c(-c3ccc4c(c3)sc3ccccc34)c2)cc1.N#Cc1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)cc(-c3ccc4c(c3)oc3ccccc34)c2C#N)cc1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C#N)c(-c3ccc4c(c3)sc3ccccc34)c2)c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)sc3ccccc34)c2C#N)c1
InChIInChI=1S/5C38H20N2OS/c39-21-23-6-5-7-25(16-23)32-17-27(24-12-14-29-28-8-1-3-10-35(28)41-36(29)19-24)18-33(34(32)22-40)26-13-15-31-30-9-2-4-11-37(30)42-38(31)20-26;39-21-23-6-5-7-24(16-23)27-17-32(25-12-14-29-28-8-1-3-10-35(28)41-36(29)19-25)34(22-40)33(18-27)26-13-15-31-30-9-2-4-11-37(30)42-38(31)20-26;39-21-23-9-11-24(12-10-23)32-17-27(25-13-16-31-30-6-2-4-8-37(30)42-38(31)20-25)18-33(34(32)22-40)26-14-15-29-28-5-1-3-7-35(28)41-36(29)19-26;39-21-23-9-11-24(12-10-23)27-17-32(25-13-15-29-28-5-1-3-7-35(28)41-36(29)19-25)34(22-40)33(18-27)26-14-16-31-30-6-2-4-8-37(30)42-38(31)20-26;39-21-32-30(24-14-16-27-26-10-4-6-12-34(26)41-35(27)18-24)20-31(33(22-40)38(32)23-8-2-1-3-9-23)25-15-17-29-28-11-5-7-13-36(28)42-37(29)19-25/h5*1-20H
InChIKeyWDKAKRZESSCSMX-UHFFFAOYSA-N
XLogP53.49
TPSA303.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002763.29
LogP ≤ 553.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile
CID 146355593
4-dibenzofuran-3-yl-6-dibenzothiophen-2-yl-2-phenylbenzene-1,3-dicarbonitrile
CID 146354952
4-(4-cyanophenyl)-2,6-di(dibenzothiophen-3-yl)benzonitrile
CID 146354659
3-[4-[4-dibenzothiophen-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774657
2-(3-cyanophenyl)-6-dibenzothiophen-1-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 146355521
4-dibenzofuran-4-yl-2-dibenzothiophen-3-yl-6-phenylbenzene-1,3-dicarbonitrile
CID 146354979
2-(3-cyanophenyl)-4-dibenzothiophen-3-yl-6-dibenzothiophen-4-ylbenzonitrile
CID 146355505
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-3-ylphenyl)benzene-1,4-dicarbonitrile
CID 146355597
7-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 138736824
4-[9-(4-cyanophenyl)dibenzofuran-3-yl]-2-phenyl-6-(4-phenylphenyl)benzonitrile
CID 176994591
3-(3-dibenzofuran-3-yl-5-dibenzothiophen-4-ylphenyl)benzonitrile
CID 146354219
3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355675

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile (CID 161473493) is 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile is N#Cc1c(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3c(c2)sc2ccccc23)c(C#N)c1-c1ccccc1.N#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C#N)c(-c3ccc4c(c3)sc3ccccc34)c2)cc1.N#Cc1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)cc(-c3ccc4c(c3)oc3ccccc34)c2C#N)cc1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C#N)c(-c3ccc4c(c3)sc3ccccc34)c2)c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)sc3ccccc34)c2C#N)c1.
What is the InChIKey of 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile?
The InChIKey is WDKAKRZESSCSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/5C38H20N2OS/c39-21-23-6-5-7-25(16-23)32-17-27(24-12-14-29-28-8-1-3-10-35(28)41-36(29)19-24)18-33(34(32)22-40)26-13-15-31-30-9-2-4-11-37(30)42-38(31)20-26;39-21-23-6-5-7-24(16-23)27-17-32(25-12-14-29-28-8-1-3-10-35(28)41-36(29)19-25)34(22-40)33(18-27)26-13-15-31-30-9-2-4-11-37(30)42-38(31)20-26;39-21-23-9-11-24(12-10-23)32-17-27(25-13-16-31-30-6-2-4-8-37(30)42-38(31)20-25)18-33(34(32)22-40)26-14-15-29-28-5-1-3-7-35(28)41-36(29)19-26;39-21-23-9-11-24(12-10-23)27-17-32(25-13-15-29-28-5-1-3-7-35(28)41-36(29)19-25)34(22-40)33(18-27)26-14-16-31-30-6-2-4-8-37(30)42-38(31)20-26;39-21-32-30(24-14-16-27-26-10-4-6-12-34(26)41-35(27)18-24)20-31(33(22-40)38(32)23-8-2-1-3-9-23)25-15-17-29-28-11-5-7-13-36(28)42-37(29)19-25/h5*1-20H.
What are the key properties of 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile?
2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile has a molecular weight of 2763.29 g/mol, XLogP of 53.49, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 161473493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).