3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile

C43H25NOS — CID 146355644

IUPAC3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C43H25NOS/c44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)39-24-29(30-18-20-36-35-12-5-7-16-41(35)46-42(36)25-30)17-19-33(39)37-13-8-14-38-34-11-4-6-15-40(34)45-43(37)38/h1-25H
InChIKeyJKJUQCOOVPMROZ-UHFFFAOYSA-N
MW603.75 g/mol
LogP12.49
Rot. Bonds4

About 3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile

3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile (PubChem CID 146355644) has the molecular formula C43H25NOS and a molecular weight of 603.75 g/mol. Its IUPAC name is 3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile.

Molecular Properties

Compound Name3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
PubChem CID146355644
Molecular FormulaC43H25NOS
Molecular Weight603.75 g/mol
Exact Mass603.17
IUPAC Name3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C43H25NOS/c44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)39-24-29(30-18-20-36-35-12-5-7-16-41(35)46-42(36)25-30)17-19-33(39)37-13-8-14-38-34-11-4-6-15-40(34)45-43(37)38/h1-25H
InChIKeyJKJUQCOOVPMROZ-UHFFFAOYSA-N
XLogP12.49
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.75
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
CID 90393086
3-dibenzofuran-4-yl-5-[3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 90393083
3-(3-dibenzofuran-4-yl-5-dibenzothiophen-1-ylphenyl)benzonitrile
CID 146354319
3-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 146354841
3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354823
3-[4-(3-cyano-5-dibenzofuran-4-ylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;5-[3-(3-cyano-4-dibenzofuran-4-ylphenyl)phenyl]-2-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-phenylphenyl]-5-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-(3-phenylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-(4-phenylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;3-dibenzofuran-4-yl-5-[4-(3-dibenzofuran-4-ylphenyl)phenyl]benzonitrile;3-dibenzofuran-4-yl-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]benzonitrile;3-dibenzofuran-4-yl-5-[3-(3-dibenzofuran-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 159814900
3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile
CID 146355648
3-(2-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
CID 146354114
4-(3-dibenzofuran-4-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355148
4-dibenzofuran-4-yl-2-dibenzothiophen-3-yl-6-phenylbenzene-1,3-dicarbonitrile
CID 146354979
3-[2,5-di(dibenzothiophen-2-yl)phenyl]-5-phenylbenzonitrile
CID 146354226
7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile
CID 159656811

Frequently Asked Questions

What is the IUPAC name of 3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile?
The IUPAC name of 3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile (CID 146355644) is 3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile.
What is the SMILES notation for 3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile?
The canonical SMILES for 3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile is N#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile?
The InChIKey is JKJUQCOOVPMROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NOS/c44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)39-24-29(30-18-20-36-35-12-5-7-16-41(35)46-42(36)25-30)17-19-33(39)37-13-8-14-38-34-11-4-6-15-40(34)45-43(37)38/h1-25H.
What are the key properties of 3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile?
3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile has a molecular weight of 603.75 g/mol, XLogP of 12.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile is sourced from PubChem (CID 146355644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).