2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile

C37H21NO2 — CID 146354764

IUPAC2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C37H21NO2/c38-22-25-8-1-2-9-26(25)32-20-23(24-17-19-36-33(21-24)29-11-4-5-14-34(29)39-36)16-18-27(32)30-12-7-13-31-28-10-3-6-15-35(28)40-37(30)31/h1-21H
InChIKeyVTBZDQXBKVGUFR-UHFFFAOYSA-N
MW511.58 g/mol
LogP10.36
Rot. Bonds3

About 2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile

2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile (PubChem CID 146354764) has the molecular formula C37H21NO2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
PubChem CID146354764
Molecular FormulaC37H21NO2
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C37H21NO2/c38-22-25-8-1-2-9-26(25)32-20-23(24-17-19-36-33(21-24)29-11-4-5-14-34(29)39-36)16-18-27(32)30-12-7-13-31-28-10-3-6-15-35(28)40-37(30)31/h1-21H
InChIKeyVTBZDQXBKVGUFR-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-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
2-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile
CID 146355647
2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile
CID 146353968
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402370
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
4-(28-dibenzofuran-4-yl-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-(29-dibenzofuran-4-yl-3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-(29-dibenzofuran-4-yl-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-[5,28,29-tri(dibenzofuran-4-yl)-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl]dibenzofuran;2-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;2-(4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 159395246
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
CID 170374738
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile?
The IUPAC name of 2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile (CID 146354764) is 2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile?
The canonical SMILES for 2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile is N#Cc1ccccc1-c1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile?
The InChIKey is VTBZDQXBKVGUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO2/c38-22-25-8-1-2-9-26(25)32-20-23(24-17-19-36-33(21-24)29-11-4-5-14-34(29)39-36)16-18-27(32)30-12-7-13-31-28-10-3-6-15-35(28)40-37(30)31/h1-21H.
What are the key properties of 2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile?
2-(5-dibenzofuran-2-yl-2-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-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile is sourced from PubChem (CID 146354764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).