4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile

C38H20N2O2 — CID 146354460

IUPAC4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2cccc3oc4ccccc4c23)cc(-c2cccc3oc4ccccc4c23)c(C#N)c1-c1ccccc1
InChIInChI=1S/C38H20N2O2/c39-21-30-28(24-14-8-18-34-37(24)26-12-4-6-16-32(26)41-34)20-29(31(22-40)36(30)23-10-2-1-3-11-23)25-15-9-19-35-38(25)27-13-5-7-17-33(27)42-35/h1-20H
InChIKeyPEEPXBVXRRJUAJ-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile

4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile (PubChem CID 146354460) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile
PubChem CID146354460
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2cccc3oc4ccccc4c23)cc(-c2cccc3oc4ccccc4c23)c(C#N)c1-c1ccccc1
InChIInChI=1S/C38H20N2O2/c39-21-30-28(24-14-8-18-34-37(24)26-12-4-6-16-32(26)41-34)20-29(31(22-40)36(30)23-10-2-1-3-11-23)25-15-9-19-35-38(25)27-13-5-7-17-33(27)42-35/h1-20H
InChIKeyPEEPXBVXRRJUAJ-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

3-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-2-phenylbenzonitrile
CID 146355638
4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 169296957
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile
CID 146355240
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile
CID 146355606
4-dibenzofuran-3-yl-6-dibenzothiophen-2-yl-2-phenylbenzene-1,3-dicarbonitrile
CID 146354952
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
4-dibenzothiophen-1-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile
CID 146354814
3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355352

Frequently Asked Questions

What is the IUPAC name of 4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile (CID 146354460) is 4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile is N#Cc1c(-c2cccc3oc4ccccc4c23)cc(-c2cccc3oc4ccccc4c23)c(C#N)c1-c1ccccc1.
What is the InChIKey of 4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile?
The InChIKey is PEEPXBVXRRJUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-30-28(24-14-8-18-34-37(24)26-12-4-6-16-32(26)41-34)20-29(31(22-40)36(30)23-10-2-1-3-11-23)25-15-9-19-35-38(25)27-13-5-7-17-33(27)42-35/h1-20H.
What are the key properties of 4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile?
4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-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 4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 146354460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).