2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile

C37H21NO2 — CID 146353968

IUPAC2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cccc3c2oc2ccccc23)c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C37H21NO2/c38-22-24-9-1-2-10-25(24)29-13-7-14-30(32-16-8-15-31-27-12-4-6-18-34(27)40-37(31)32)36(29)23-19-20-28-26-11-3-5-17-33(26)39-35(28)21-23/h1-21H
InChIKeyZZIJQEWAAGTVLO-UHFFFAOYSA-N
MW511.58 g/mol
LogP10.36
Rot. Bonds3

About 2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile

2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile (PubChem CID 146353968) has the molecular formula C37H21NO2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile
PubChem CID146353968
Molecular FormulaC37H21NO2
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cccc3c2oc2ccccc23)c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C37H21NO2/c38-22-24-9-1-2-10-25(24)29-13-7-14-30(32-16-8-15-31-27-12-4-6-18-34(27)40-37(31)32)36(29)23-19-20-28-26-11-3-5-17-33(26)39-35(28)21-23/h1-21H
InChIKeyZZIJQEWAAGTVLO-UHFFFAOYSA-N
XLogP10.36
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354764
4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile
CID 146354609
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile
CID 139381776
3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354823
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
CID 170374738

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile?
The IUPAC name of 2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile (CID 146353968) is 2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile?
The canonical SMILES for 2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile is N#Cc1ccccc1-c1cccc(-c2cccc3c2oc2ccccc23)c1-c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile?
The InChIKey is ZZIJQEWAAGTVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO2/c38-22-24-9-1-2-10-25(24)29-13-7-14-30(32-16-8-15-31-27-12-4-6-18-34(27)40-37(31)32)36(29)23-19-20-28-26-11-3-5-17-33(26)39-35(28)21-23/h1-21H.
What are the key properties of 2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile?
2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile has a molecular weight of 511.58 g/mol, XLogP of 10.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile is sourced from PubChem (CID 146353968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).