2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile

C38H20N2OS — CID 146355606

IUPAC2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile
SMILESN#Cc1ccc(-c2cc(-c3cccc4sc5ccccc5c34)cc(-c3cccc4oc5ccccc5c34)c2C#N)cc1
InChIInChI=1S/C38H20N2OS/c39-21-23-15-17-24(18-16-23)30-19-25(26-9-6-14-36-38(26)29-8-2-4-13-35(29)42-36)20-31(32(30)22-40)27-10-5-12-34-37(27)28-7-1-3-11-33(28)41-34/h1-20H
InChIKeyVJEUUPPVMQGEIX-UHFFFAOYSA-N
MW552.66 g/mol
LogP10.70
Rot. Bonds3

About 2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile

2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile (PubChem CID 146355606) has the molecular formula C38H20N2OS and a molecular weight of 552.66 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile.

Molecular Properties

Compound Name2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile
PubChem CID146355606
Molecular FormulaC38H20N2OS
Molecular Weight552.66 g/mol
Exact Mass552.13
IUPAC Name2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile
SMILESN#Cc1ccc(-c2cc(-c3cccc4sc5ccccc5c34)cc(-c3cccc4oc5ccccc5c34)c2C#N)cc1
InChIInChI=1S/C38H20N2OS/c39-21-23-15-17-24(18-16-23)30-19-25(26-9-6-14-36-38(26)29-8-2-4-13-35(29)42-36)20-31(32(30)22-40)27-10-5-12-34-37(27)28-7-1-3-11-33(28)41-34/h1-20H
InChIKeyVJEUUPPVMQGEIX-UHFFFAOYSA-N
XLogP10.70
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.66
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile
CID 176994433
4-[9-(4-cyanophenyl)dibenzofuran-3-yl]-2-phenyl-6-(4-phenylphenyl)benzonitrile
CID 176994591
3-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-2-phenylbenzonitrile
CID 146355638
2-(3-cyanophenyl)-4-dibenzothiophen-1-yl-6-dibenzothiophen-2-ylbenzonitrile
CID 146354136
2-(3-cyanophenyl)-6-dibenzothiophen-1-yl-4-dibenzothiophen-2-ylbenzonitrile
CID 146354116
2-(3-cyanophenyl)-6-dibenzothiophen-1-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 146355521
3-(9-dibenzothiophen-1-yldibenzofuran-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 155377143
4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 169296957
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
1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran
CID 165081711
3-(3-dibenzofuran-4-yl-5-dibenzothiophen-1-ylphenyl)benzonitrile
CID 146354319
2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile
CID 146355647

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile?
The IUPAC name of 2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile (CID 146355606) is 2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile.
What is the SMILES notation for 2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile?
The canonical SMILES for 2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile is N#Cc1ccc(-c2cc(-c3cccc4sc5ccccc5c34)cc(-c3cccc4oc5ccccc5c34)c2C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile?
The InChIKey is VJEUUPPVMQGEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2OS/c39-21-23-15-17-24(18-16-23)30-19-25(26-9-6-14-36-38(26)29-8-2-4-13-35(29)42-36)20-31(32(30)22-40)27-10-5-12-34-37(27)28-7-1-3-11-33(28)41-34/h1-20H.
What are the key properties of 2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile?
2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile has a molecular weight of 552.66 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile is sourced from PubChem (CID 146355606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).