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

C190H100N10O5S5 — CID 160768562

IUPAC2-(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
SMILESN#Cc1cc(C#N)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)c1.N#Cc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)cc1C#N.N#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2C#N)c1.N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)c(C#N)c(-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3sc4ccccc4c3c2)c1C#N
InChIInChI=1S/5C38H20N2OS/c39-21-23-6-5-7-25(16-23)30-19-27(24-12-14-36-32(17-24)28-8-1-3-10-35(28)41-36)20-31(34(30)22-40)26-13-15-38-33(18-26)29-9-2-4-11-37(29)42-38;39-21-23-13-24(22-40)15-27(14-23)30-17-28(25-9-11-36-33(19-25)31-5-1-3-7-35(31)41-36)16-29(18-30)26-10-12-38-34(20-26)32-6-2-4-8-37(32)42-38;39-21-26-10-9-23(15-30(26)22-40)27-16-28(24-11-13-36-33(19-24)31-5-1-3-7-35(31)41-36)18-29(17-27)25-12-14-38-34(20-25)32-6-2-4-8-37(32)42-38;39-21-25-7-1-2-8-27(25)26-19-30(23-13-15-36-32(17-23)28-9-3-5-11-35(28)41-36)34(22-40)31(20-26)24-14-16-38-33(18-24)29-10-4-6-12-37(29)42-38;39-21-25-7-1-2-8-27(25)31-20-26(23-13-15-36-32(17-23)28-9-3-5-11-35(28)41-36)19-30(34(31)22-40)24-14-16-38-33(18-24)29-10-4-6-12-37(29)42-38/h5*1-20H
InChIKeyRYZWQVOGUNTXRK-UHFFFAOYSA-N
MW2763.29 g/mol
LogP53.49
Rot. Bonds15

About 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

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 (PubChem CID 160768562) has the molecular formula C190H100N10O5S5 and a molecular weight of 2763.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID160768562
Molecular FormulaC190H100N10O5S5
Molecular Weight2763.29 g/mol
Exact Mass2760.65
IUPAC Name2-(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
SMILESN#Cc1cc(C#N)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)c1.N#Cc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)cc1C#N.N#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2C#N)c1.N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)c(C#N)c(-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3sc4ccccc4c3c2)c1C#N
InChIInChI=1S/5C38H20N2OS/c39-21-23-6-5-7-25(16-23)30-19-27(24-12-14-36-32(17-24)28-8-1-3-10-35(28)41-36)20-31(34(30)22-40)26-13-15-38-33(18-26)29-9-2-4-11-37(29)42-38;39-21-23-13-24(22-40)15-27(14-23)30-17-28(25-9-11-36-33(19-25)31-5-1-3-7-35(31)41-36)16-29(18-30)26-10-12-38-34(20-26)32-6-2-4-8-37(32)42-38;39-21-26-10-9-23(15-30(26)22-40)27-16-28(24-11-13-36-33(19-24)31-5-1-3-7-35(31)41-36)18-29(17-27)25-12-14-38-34(20-25)32-6-2-4-8-37(32)42-38;39-21-25-7-1-2-8-27(25)26-19-30(23-13-15-36-32(17-23)28-9-3-5-11-35(28)41-36)34(22-40)31(20-26)24-14-16-38-33(18-24)29-10-4-6-12-37(29)42-38;39-21-25-7-1-2-8-27(25)31-20-26(23-13-15-36-32(17-23)28-9-3-5-11-35(28)41-36)19-30(34(31)22-40)24-14-16-38-33(18-24)29-10-4-6-12-37(29)42-38/h5*1-20H
InChIKeyRYZWQVOGUNTXRK-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-(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 with MolForge

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Related Compounds

3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355675
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355100
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
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
2-(3-cyanophenyl)-6-dibenzothiophen-1-yl-4-dibenzothiophen-2-ylbenzonitrile
CID 146354116
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229
2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 146354939
4-(3-dibenzofuran-4-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355148
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
2-(3-cyanophenyl)-4-dibenzothiophen-1-yl-6-dibenzothiophen-2-ylbenzonitrile
CID 146354136

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(C#N)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)c1.N#Cc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)cc1C#N.N#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2C#N)c1.N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)c(C#N)c(-c2ccc3sc4ccccc4c3c2)c1.N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3sc4ccccc4c3c2)c1C#N.
What is the InChIKey of 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?
The InChIKey is RYZWQVOGUNTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/5C38H20N2OS/c39-21-23-6-5-7-25(16-23)30-19-27(24-12-14-36-32(17-24)28-8-1-3-10-35(28)41-36)20-31(34(30)22-40)26-13-15-38-33(18-26)29-9-2-4-11-37(29)42-38;39-21-23-13-24(22-40)15-27(14-23)30-17-28(25-9-11-36-33(19-25)31-5-1-3-7-35(31)41-36)16-29(18-30)26-10-12-38-34(20-26)32-6-2-4-8-37(32)42-38;39-21-26-10-9-23(15-30(26)22-40)27-16-28(24-11-13-36-33(19-24)31-5-1-3-7-35(31)41-36)18-29(17-27)25-12-14-38-34(20-25)32-6-2-4-8-37(32)42-38;39-21-25-7-1-2-8-27(25)26-19-30(23-13-15-36-32(17-23)28-9-3-5-11-35(28)41-36)34(22-40)31(20-26)24-14-16-38-33(18-24)29-10-4-6-12-37(29)42-38;39-21-25-7-1-2-8-27(25)31-20-26(23-13-15-36-32(17-23)28-9-3-5-11-35(28)41-36)19-30(34(31)22-40)24-14-16-38-33(18-24)29-10-4-6-12-37(29)42-38/h5*1-20H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 160768562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).