4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile

C38H22N2O — CID 176994433

IUPAC4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)oc2cccc(-c4cc(-c5ccccc5)c(C#N)c(-c5ccccc5)c4)c23)cc1
InChIInChI=1S/C38H22N2O/c39-23-25-14-16-26(17-15-25)29-18-19-32-37(22-29)41-36-13-7-12-31(38(32)36)30-20-33(27-8-3-1-4-9-27)35(24-40)34(21-30)28-10-5-2-6-11-28/h1-22H
InChIKeySXCOWNVOBZBOLW-UHFFFAOYSA-N
MW522.61 g/mol
LogP10.00
Rot. Bonds4

About 4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile

4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile (PubChem CID 176994433) has the molecular formula C38H22N2O and a molecular weight of 522.61 g/mol. Its IUPAC name is 4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile.

Molecular Properties

Compound Name4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile
PubChem CID176994433
Molecular FormulaC38H22N2O
Molecular Weight522.61 g/mol
Exact Mass522.17
IUPAC Name4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)oc2cccc(-c4cc(-c5ccccc5)c(C#N)c(-c5ccccc5)c4)c23)cc1
InChIInChI=1S/C38H22N2O/c39-23-25-14-16-26(17-15-25)29-18-19-32-37(22-29)41-36-13-7-12-31(38(32)36)30-20-33(27-8-3-1-4-9-27)35(24-40)34(21-30)28-10-5-2-6-11-28/h1-22H
InChIKeySXCOWNVOBZBOLW-UHFFFAOYSA-N
XLogP10.00
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[9-(4-cyanophenyl)dibenzofuran-3-yl]-2-phenyl-6-(4-phenylphenyl)benzonitrile
CID 176994591
4-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774820
4-[4-[4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774590
5-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile
CID 168774671
2-(4-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzothiophen-1-ylbenzonitrile
CID 146355606
3-[4-[4-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774633
3-[4-[4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774923
3-[3-[4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774860
2-[4-[4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774553
2-[4-[4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774545
4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146353814
4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
CID 176994414

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile?
The IUPAC name of 4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile (CID 176994433) is 4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile.
What is the SMILES notation for 4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile?
The canonical SMILES for 4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile is N#Cc1ccc(-c2ccc3c(c2)oc2cccc(-c4cc(-c5ccccc5)c(C#N)c(-c5ccccc5)c4)c23)cc1.
What is the InChIKey of 4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile?
The InChIKey is SXCOWNVOBZBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O/c39-23-25-14-16-26(17-15-25)29-18-19-32-37(22-29)41-36-13-7-12-31(38(32)36)30-20-33(27-8-3-1-4-9-27)35(24-40)34(21-30)28-10-5-2-6-11-28/h1-22H.
What are the key properties of 4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile?
4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile has a molecular weight of 522.61 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile is sourced from PubChem (CID 176994433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).