2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile

C43H25NS2 — CID 146354834

IUPAC2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C43H25NS2/c44-26-29-9-1-2-10-33(29)35-12-4-3-11-34(35)32-22-30(27-17-19-42-38(24-27)36-13-5-7-15-40(36)45-42)21-31(23-32)28-18-20-43-39(25-28)37-14-6-8-16-41(37)46-43/h1-25H
InChIKeyZUWFUNGAVKKWAV-UHFFFAOYSA-N
MW619.81 g/mol
LogP12.96
Rot. Bonds4

About 2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile

2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile (PubChem CID 146354834) has the molecular formula C43H25NS2 and a molecular weight of 619.81 g/mol. Its IUPAC name is 2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile
PubChem CID146354834
Molecular FormulaC43H25NS2
Molecular Weight619.81 g/mol
Exact Mass619.14
IUPAC Name2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C43H25NS2/c44-26-29-9-1-2-10-33(29)35-12-4-3-11-34(35)32-22-30(27-17-19-42-38(24-27)36-13-5-7-15-40(36)45-42)21-31(23-32)28-18-20-43-39(25-28)37-14-6-8-16-41(37)46-43/h1-25H
InChIKeyZUWFUNGAVKKWAV-UHFFFAOYSA-N
XLogP12.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.81
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354620
2-[3-(2-cyanophenyl)-5-(3-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)phenyl]benzonitrile
CID 146355461
2-(3-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355471
8-[3-[3-cyano-4-(2-cyanophenyl)phenyl]-5-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354830
2-[3-(2-cyanophenyl)-5-[3,5-di(dibenzothiophen-3-yl)phenyl]phenyl]benzonitrile
CID 146355434
2-[2-(5-dibenzothiophen-1-yl-2-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile
CID 146354847
2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 146354939
3-(2-dibenzothiophen-2-ylphenyl)benzene-1,2-dicarbonitrile
CID 122433644
2-[2-[3,5-di(dibenzothiophen-1-yl)phenyl]phenyl]benzonitrile
CID 146354936
8-[3-(8-cyanodibenzothiophen-3-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 146354955
5-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylbenzonitrile
CID 146355406
2-[3,5-di(dibenzothiophen-2-yl)-4-phenylphenyl]benzonitrile
CID 156567011

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile (CID 146354834) is 2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of 2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile?
The InChIKey is ZUWFUNGAVKKWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NS2/c44-26-29-9-1-2-10-33(29)35-12-4-3-11-34(35)32-22-30(27-17-19-42-38(24-27)36-13-5-7-15-40(36)45-42)21-31(23-32)28-18-20-43-39(25-28)37-14-6-8-16-41(37)46-43/h1-25H.
What are the key properties of 2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile?
2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile has a molecular weight of 619.81 g/mol, XLogP of 12.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 146354834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).