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

C198H112N6O10 — CID 157239816

IUPAC8-[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
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc3c(c2)oc2ccccc23)c1.N#Cc1ccc2oc3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c(-c5ccccc5C#N)c4)cc3c2c1.N#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc3c(c2)oc2ccccc23)c1.N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1ccc2c(c1)oc1ccccc12.N#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/2C43H25NO2.C38H20N2O2.2C37H21NO2/c44-26-30-9-1-2-10-31(30)33-11-3-4-12-34(33)38-23-27(28-19-22-42-39(24-28)36-14-6-8-16-41(36)45-42)17-20-32(38)29-18-21-37-35-13-5-7-15-40(35)46-43(37)25-29;44-26-27-20-32(28-8-2-1-3-9-28)22-33(21-27)38-23-29(30-16-19-42-39(24-30)36-11-5-7-13-41(36)45-42)14-17-34(38)31-15-18-37-35-10-4-6-12-40(35)46-43(37)25-31;39-21-23-9-15-36-33(17-23)34-19-25(12-16-37(34)41-36)24-10-13-29(32(18-24)28-6-2-1-5-27(28)22-40)26-11-14-31-30-7-3-4-8-35(30)42-38(31)20-26;38-22-23-6-5-7-26(18-23)32-19-24(25-14-17-36-33(20-25)30-9-2-4-11-35(30)39-36)12-15-28(32)27-13-16-31-29-8-1-3-10-34(29)40-37(31)21-27;38-22-26-7-1-2-8-27(26)32-19-23(24-15-18-36-33(20-24)30-10-4-6-12-35(30)39-36)13-16-28(32)25-14-17-31-29-9-3-5-11-34(29)40-37(31)21-25/h2*1-25H;1-20H;2*1-21H
InChIKeyAVBPAGXTUFZCKC-UHFFFAOYSA-N
MW2735.11 g/mol
LogP55.00
Rot. Bonds17

About 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

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 (PubChem CID 157239816) has the molecular formula C198H112N6O10 and a molecular weight of 2735.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID157239816
Molecular FormulaC198H112N6O10
Molecular Weight2735.11 g/mol
Exact Mass2732.84
IUPAC Name8-[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
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc3c(c2)oc2ccccc23)c1.N#Cc1ccc2oc3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c(-c5ccccc5C#N)c4)cc3c2c1.N#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc3c(c2)oc2ccccc23)c1.N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1ccc2c(c1)oc1ccccc12.N#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/2C43H25NO2.C38H20N2O2.2C37H21NO2/c44-26-30-9-1-2-10-31(30)33-11-3-4-12-34(33)38-23-27(28-19-22-42-39(24-28)36-14-6-8-16-41(36)45-42)17-20-32(38)29-18-21-37-35-13-5-7-15-40(35)46-43(37)25-29;44-26-27-20-32(28-8-2-1-3-9-28)22-33(21-27)38-23-29(30-16-19-42-39(24-30)36-11-5-7-13-41(36)45-42)14-17-34(38)31-15-18-37-35-10-4-6-12-40(35)46-43(37)25-31;39-21-23-9-15-36-33(17-23)34-19-25(12-16-37(34)41-36)24-10-13-29(32(18-24)28-6-2-1-5-27(28)22-40)26-11-14-31-30-7-3-4-8-35(30)42-38(31)20-26;38-22-23-6-5-7-26(18-23)32-19-24(25-14-17-36-33(20-25)30-9-2-4-11-35(30)39-36)12-15-28(32)27-13-16-31-29-8-1-3-10-34(29)40-37(31)21-27;38-22-26-7-1-2-8-27(26)32-19-23(24-15-18-36-33(20-24)30-10-4-6-12-35(30)39-36)13-16-28(32)25-14-17-31-29-9-3-5-11-34(29)40-37(31)21-25/h2*1-25H;1-20H;2*1-21H
InChIKeyAVBPAGXTUFZCKC-UHFFFAOYSA-N
XLogP55.00
TPSA274.14 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002735.11
LogP ≤ 555.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
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
9-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile;9-[3-[2-(3-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile;9-[3-[2-(4-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile
CID 162133959
8-[3-(8-cyanodibenzofuran-2-yl)-5-[3-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile
CID 146354560
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
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
8-[3-(8-cyanodibenzofuran-2-yl)-5-[2-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile;4-[3-(7-cyanodibenzofuran-2-yl)-5-dibenzofuran-2-ylphenyl]-5-phenylbenzene-1,3-dicarbonitrile;8-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile;2-[3-dibenzofuran-2-yl-5-(8-phenyldibenzofuran-2-yl)phenyl]-3-phenylbenzonitrile;4-dibenzofuran-2-yl-2-(6-phenyldibenzofuran-2-yl)-6-(2-phenylphenyl)benzonitrile
CID 157052596
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354419
7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353959
7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile
CID 146355177

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc3c(c2)oc2ccccc23)c1.N#Cc1ccc2oc3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c(-c5ccccc5C#N)c4)cc3c2c1.N#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc3c(c2)oc2ccccc23)c1.N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1ccc2c(c1)oc1ccccc12.N#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 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?
The InChIKey is AVBPAGXTUFZCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H25NO2.C38H20N2O2.2C37H21NO2/c44-26-30-9-1-2-10-31(30)33-11-3-4-12-34(33)38-23-27(28-19-22-42-39(24-28)36-14-6-8-16-41(36)45-42)17-20-32(38)29-18-21-37-35-13-5-7-15-40(35)46-43(37)25-29;44-26-27-20-32(28-8-2-1-3-9-28)22-33(21-27)38-23-29(30-16-19-42-39(24-30)36-11-5-7-13-41(36)45-42)14-17-34(38)31-15-18-37-35-10-4-6-12-40(35)46-43(37)25-31;39-21-23-9-15-36-33(17-23)34-19-25(12-16-37(34)41-36)24-10-13-29(32(18-24)28-6-2-1-5-27(28)22-40)26-11-14-31-30-7-3-4-8-35(30)42-38(31)20-26;38-22-23-6-5-7-26(18-23)32-19-24(25-14-17-36-33(20-25)30-9-2-4-11-35(30)39-36)12-15-28(32)27-13-16-31-29-8-1-3-10-34(29)40-37(31)21-27;38-22-26-7-1-2-8-27(26)32-19-23(24-15-18-36-33(20-24)30-10-4-6-12-35(30)39-36)13-16-28(32)25-14-17-31-29-9-3-5-11-34(29)40-37(31)21-25/h2*1-25H;1-20H;2*1-21H.
What are the key properties of 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?
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 has a molecular weight of 2735.11 g/mol, XLogP of 55.00, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157239816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).