2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile

C49H29NOS — CID 146355085

IUPAC2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C49H29NOS/c50-30-33-14-4-5-15-37(33)35-26-34(31-12-2-1-3-13-31)27-36(28-35)48-38(32-24-25-46-44(29-32)39-16-6-8-22-45(39)51-46)18-10-19-41(48)43-21-11-20-42-40-17-7-9-23-47(40)52-49(42)43/h1-29H
InChIKeyZAWWDRNIVCSRCD-UHFFFAOYSA-N
MW679.84 g/mol
LogP14.16
Rot. Bonds5

About 2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile

2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile (PubChem CID 146355085) has the molecular formula C49H29NOS and a molecular weight of 679.84 g/mol. Its IUPAC name is 2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile
PubChem CID146355085
Molecular FormulaC49H29NOS
Molecular Weight679.84 g/mol
Exact Mass679.20
IUPAC Name2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C49H29NOS/c50-30-33-14-4-5-15-37(33)35-26-34(31-12-2-1-3-13-31)27-36(28-35)48-38(32-24-25-46-44(29-32)39-16-6-8-22-45(39)51-46)18-10-19-41(48)43-21-11-20-42-40-17-7-9-23-47(40)52-49(42)43/h1-29H
InChIKeyZAWWDRNIVCSRCD-UHFFFAOYSA-N
XLogP14.16
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.84
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile
CID 146355648
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
4-[3-(4-dibenzofuran-2-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171584514
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine
CID 171584527
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
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677
8-[3-(2-cyanophenyl)-4-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355023
2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355346

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile?
The IUPAC name of 2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile (CID 146355085) is 2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile.
What is the SMILES notation for 2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile?
The canonical SMILES for 2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile?
The InChIKey is ZAWWDRNIVCSRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NOS/c50-30-33-14-4-5-15-37(33)35-26-34(31-12-2-1-3-13-31)27-36(28-35)48-38(32-24-25-46-44(29-32)39-16-6-8-22-45(39)51-46)18-10-19-41(48)43-21-11-20-42-40-17-7-9-23-47(40)52-49(42)43/h1-29H.
What are the key properties of 2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile?
2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile has a molecular weight of 679.84 g/mol, XLogP of 14.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile is sourced from PubChem (CID 146355085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).