2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile

C37H21NOS — CID 146355647

IUPAC2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1cccc2sc3ccccc3c12
InChIInChI=1S/C37H21NOS/c38-22-25-8-1-2-9-26(25)31-20-23(24-17-19-34-32(21-24)28-10-3-5-13-33(28)39-34)16-18-27(31)29-12-7-15-36-37(29)30-11-4-6-14-35(30)40-36/h1-21H
InChIKeyCKCQAEQFUWMQIZ-UHFFFAOYSA-N
MW527.65 g/mol
LogP10.83
Rot. Bonds3

About 2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile

2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile (PubChem CID 146355647) has the molecular formula C37H21NOS and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile
PubChem CID146355647
Molecular FormulaC37H21NOS
Molecular Weight527.65 g/mol
Exact Mass527.13
IUPAC Name2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1cccc2sc3ccccc3c12
InChIInChI=1S/C37H21NOS/c38-22-25-8-1-2-9-26(25)31-20-23(24-17-19-34-32(21-24)28-10-3-5-13-33(28)39-34)16-18-27(31)29-12-7-15-36-37(29)30-11-4-6-14-35(30)40-36/h1-21H
InChIKeyCKCQAEQFUWMQIZ-UHFFFAOYSA-N
XLogP10.83
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354764
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677
2-[2-(5-dibenzothiophen-1-yl-2-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile
CID 146354847
8-[3-(2-cyanophenyl)-4-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355023
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
8-[3-(2-cyanophenyl)-4-dibenzothiophen-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355181
2-[2-[3,5-di(dibenzothiophen-1-yl)phenyl]phenyl]benzonitrile
CID 146354936
2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355346
2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039
2-dibenzofuran-2-yl-4-(2-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743290
2-(3-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355471
2-(6-dibenzofuran-2-yl-9-phenylcarbazol-4-yl)benzonitrile
CID 148667920

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile?
The IUPAC name of 2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile (CID 146355647) is 2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile?
The canonical SMILES for 2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile is N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1cccc2sc3ccccc3c12.
What is the InChIKey of 2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile?
The InChIKey is CKCQAEQFUWMQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NOS/c38-22-25-8-1-2-9-26(25)31-20-23(24-17-19-34-32(21-24)28-10-3-5-13-33(28)39-34)16-18-27(31)29-12-7-15-36-37(29)30-11-4-6-14-35(30)40-36/h1-21H.
What are the key properties of 2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile?
2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile has a molecular weight of 527.65 g/mol, XLogP of 10.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile is sourced from PubChem (CID 146355647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).