2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile

C190H100N10O5S5 — CID 161329352

IUPAC2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile
SMILESN#Cc1c(-c2ccc3sc4ccccc4c3c2)cc(-c2ccccc2)c(-c2ccc3oc4ccccc4c3c2)c1C#N.N#Cc1cc(-c2ccc3sc4ccccc4c3c2)c(C#N)c(-c2ccccc2)c1-c1ccc2oc3ccccc3c2c1.N#Cc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)ccc(-c3ccc4sc5ccccc5c4c3)c2C#N)cc1.N#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)c(C#N)cc2-c2ccc3oc4ccccc4c3c2)cc1.N#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(C#N)c2-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/5C38H20N2OS/c39-21-23-9-11-24(12-10-23)38-28(26-13-17-35-31(19-26)29-5-1-3-7-34(29)41-35)16-15-27(33(38)22-40)25-14-18-37-32(20-25)30-6-2-4-8-36(30)42-37;39-21-23-9-11-24(12-10-23)31-20-27(25-14-16-37-33(18-25)30-6-2-4-8-36(30)42-37)17-28(22-40)38(31)26-13-15-35-32(19-26)29-5-1-3-7-34(29)41-35;39-21-23-9-11-24(12-10-23)32-20-30(25-14-16-38-34(18-25)29-6-2-4-8-37(29)42-38)27(22-40)19-31(32)26-13-15-36-33(17-26)28-5-1-3-7-35(28)41-36;39-21-26-20-29(24-15-17-36-31(18-24)28-11-5-7-13-35(28)42-36)32(22-40)38(23-8-2-1-3-9-23)37(26)25-14-16-34-30(19-25)27-10-4-6-12-33(27)41-34;39-21-32-28(24-15-17-37-31(18-24)27-11-5-7-13-36(27)42-37)20-29(23-8-2-1-3-9-23)38(33(32)22-40)25-14-16-35-30(19-25)26-10-4-6-12-34(26)41-35/h5*1-20H
InChIKeyVLFBZBVWNKBMLC-UHFFFAOYSA-N
MW2763.29 g/mol
LogP53.49
Rot. Bonds15

About 2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile

2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile (PubChem CID 161329352) has the molecular formula C190H100N10O5S5 and a molecular weight of 2763.29 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile
PubChem CID161329352
Molecular FormulaC190H100N10O5S5
Molecular Weight2763.29 g/mol
Exact Mass2760.65
IUPAC Name2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile
SMILESN#Cc1c(-c2ccc3sc4ccccc4c3c2)cc(-c2ccccc2)c(-c2ccc3oc4ccccc4c3c2)c1C#N.N#Cc1cc(-c2ccc3sc4ccccc4c3c2)c(C#N)c(-c2ccccc2)c1-c1ccc2oc3ccccc3c2c1.N#Cc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)ccc(-c3ccc4sc5ccccc5c4c3)c2C#N)cc1.N#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)c(C#N)cc2-c2ccc3oc4ccccc4c3c2)cc1.N#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(C#N)c2-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/5C38H20N2OS/c39-21-23-9-11-24(12-10-23)38-28(26-13-17-35-31(19-26)29-5-1-3-7-34(29)41-35)16-15-27(33(38)22-40)25-14-18-37-32(20-25)30-6-2-4-8-36(30)42-37;39-21-23-9-11-24(12-10-23)31-20-27(25-14-16-37-33(18-25)30-6-2-4-8-36(30)42-37)17-28(22-40)38(31)26-13-15-35-32(19-26)29-5-1-3-7-34(29)41-35;39-21-23-9-11-24(12-10-23)32-20-30(25-14-16-38-34(18-25)29-6-2-4-8-37(29)42-38)27(22-40)19-31(32)26-13-15-36-33(17-26)28-5-1-3-7-35(28)41-36;39-21-26-20-29(24-15-17-36-31(18-24)28-11-5-7-13-35(28)42-36)32(22-40)38(23-8-2-1-3-9-23)37(26)25-14-16-34-30(19-25)27-10-4-6-12-33(27)41-34;39-21-32-28(24-15-17-37-31(18-24)27-11-5-7-13-36(27)42-37)20-29(23-8-2-1-3-9-23)38(33(32)22-40)25-14-16-35-30(19-25)26-10-4-6-12-34(26)41-35/h5*1-20H
InChIKeyVLFBZBVWNKBMLC-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-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile with MolForge

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Related Compounds

2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile
CID 146353866
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
4-dibenzofuran-3-yl-6-dibenzothiophen-2-yl-2-phenylbenzene-1,3-dicarbonitrile
CID 146354952
2,4-di(dibenzothiophen-2-yl)-3,6-diphenylbenzonitrile
CID 146353990
3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355675
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
4-[2,6-bis(2-cyanophenyl)-4-phenylphenyl]-2,6-di(dibenzothiophen-2-yl)benzonitrile;2-[3-(2-cyanophenyl)-2-[3,5-di(dibenzothiophen-2-yl)-4-phenylphenyl]phenyl]benzonitrile;4-[3,5-di(dibenzothiophen-2-yl)-2-phenylphenyl]-3-phenylbenzonitrile;2-[2-[3,5-di(dibenzothiophen-2-yl)-4-phenylphenyl]-3-phenylphenyl]benzonitrile
CID 158306955
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355100
4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
CID 146353688
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
5-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylbenzonitrile
CID 146355406

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile?
The IUPAC name of 2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile (CID 161329352) is 2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile.
What is the SMILES notation for 2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile?
The canonical SMILES for 2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile is N#Cc1c(-c2ccc3sc4ccccc4c3c2)cc(-c2ccccc2)c(-c2ccc3oc4ccccc4c3c2)c1C#N.N#Cc1cc(-c2ccc3sc4ccccc4c3c2)c(C#N)c(-c2ccccc2)c1-c1ccc2oc3ccccc3c2c1.N#Cc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)ccc(-c3ccc4sc5ccccc5c4c3)c2C#N)cc1.N#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)c(C#N)cc2-c2ccc3oc4ccccc4c3c2)cc1.N#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(C#N)c2-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile?
The InChIKey is VLFBZBVWNKBMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/5C38H20N2OS/c39-21-23-9-11-24(12-10-23)38-28(26-13-17-35-31(19-26)29-5-1-3-7-34(29)41-35)16-15-27(33(38)22-40)25-14-18-37-32(20-25)30-6-2-4-8-36(30)42-37;39-21-23-9-11-24(12-10-23)31-20-27(25-14-16-37-33(18-25)30-6-2-4-8-36(30)42-37)17-28(22-40)38(31)26-13-15-35-32(19-26)29-5-1-3-7-34(29)41-35;39-21-23-9-11-24(12-10-23)32-20-30(25-14-16-38-34(18-25)29-6-2-4-8-37(29)42-38)27(22-40)19-31(32)26-13-15-36-33(17-26)28-5-1-3-7-35(28)41-36;39-21-26-20-29(24-15-17-36-31(18-24)28-11-5-7-13-35(28)42-36)32(22-40)38(23-8-2-1-3-9-23)37(26)25-14-16-34-30(19-25)27-10-4-6-12-33(27)41-34;39-21-32-28(24-15-17-37-31(18-24)27-11-5-7-13-36(27)42-37)20-29(23-8-2-1-3-9-23)38(33(32)22-40)25-14-16-35-30(19-25)26-10-4-6-12-34(26)41-35/h5*1-20H.
What are the key properties of 2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile?
2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-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-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile is sourced from PubChem (CID 161329352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).