2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile

C38H20N2O2 — CID 146353866

IUPAC2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-c2ccc3oc4ccccc4c3c2)c(C#N)c(-c2ccccc2)c1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C38H20N2O2/c39-21-26-20-29(24-14-16-35-30(18-24)27-10-4-6-12-33(27)41-35)32(22-40)38(23-8-2-1-3-9-23)37(26)25-15-17-36-31(19-25)28-11-5-7-13-34(28)42-36/h1-20H
InChIKeyKYNWBIDWWZHSJO-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile

2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile (PubChem CID 146353866) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile
PubChem CID146353866
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-c2ccc3oc4ccccc4c3c2)c(C#N)c(-c2ccccc2)c1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C38H20N2O2/c39-21-26-20-29(24-14-16-35-30(18-24)27-10-4-6-12-33(27)41-35)32(22-40)38(23-8-2-1-3-9-23)37(26)25-15-17-36-31(19-25)28-11-5-7-13-34(28)42-36/h1-20H
InChIKeyKYNWBIDWWZHSJO-UHFFFAOYSA-N
XLogP10.23
TPSA73.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.59
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-cyano-3,6-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354711
2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354517
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
2-(4-cyanophenyl)-3-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;3-(4-cyanophenyl)-2-dibenzofuran-2-yl-5-dibenzothiophen-2-ylbenzonitrile;4-(4-cyanophenyl)-5-dibenzofuran-2-yl-2-dibenzothiophen-2-ylbenzonitrile;2-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-3-phenylbenzene-1,4-dicarbonitrile;3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-4-phenylbenzene-1,2-dicarbonitrile
CID 161329352
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
CID 170374738
4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
CID 146353688
4-[4-cyano-3,5-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354530
4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile
CID 170375637
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile
CID 146355240
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
4-dibenzofuran-3-yl-6-dibenzothiophen-2-yl-2-phenylbenzene-1,3-dicarbonitrile
CID 146354952

Frequently Asked Questions

What is the IUPAC name of 2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile (CID 146353866) is 2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile is N#Cc1cc(-c2ccc3oc4ccccc4c3c2)c(C#N)c(-c2ccccc2)c1-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile?
The InChIKey is KYNWBIDWWZHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-26-20-29(24-14-16-35-30(18-24)27-10-4-6-12-33(27)41-35)32(22-40)38(23-8-2-1-3-9-23)37(26)25-15-17-36-31(19-25)28-11-5-7-13-34(28)42-36/h1-20H.
What are the key properties of 2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile?
2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile has a molecular weight of 536.59 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile is sourced from PubChem (CID 146353866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).