3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile

C43H25NO2 — CID 146354418

IUPAC3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)c1-c1ccccc1
InChIInChI=1S/C43H25NO2/c44-26-30-11-8-14-34(43(30)27-9-2-1-3-10-27)33-22-31(28-17-19-41-37(24-28)35-12-4-6-15-39(35)45-41)21-32(23-33)29-18-20-42-38(25-29)36-13-5-7-16-40(36)46-42/h1-25H
InChIKeyDFDVSOFGBPOTPZ-UHFFFAOYSA-N
MW587.68 g/mol
LogP12.03
Rot. Bonds4

About 3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile

3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile (PubChem CID 146354418) has the molecular formula C43H25NO2 and a molecular weight of 587.68 g/mol. Its IUPAC name is 3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile.

Molecular Properties

Compound Name3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
PubChem CID146354418
Molecular FormulaC43H25NO2
Molecular Weight587.68 g/mol
Exact Mass587.19
IUPAC Name3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)c1-c1ccccc1
InChIInChI=1S/C43H25NO2/c44-26-30-11-8-14-34(43(30)27-9-2-1-3-10-27)33-22-31(28-17-19-41-37(24-28)35-12-4-6-15-39(35)45-41)21-32(23-33)29-18-20-42-38(25-29)36-13-5-7-16-40(36)46-42/h1-25H
InChIKeyDFDVSOFGBPOTPZ-UHFFFAOYSA-N
XLogP12.03
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354419
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
2-[2-cyano-3,6-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354711
2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355346
2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 146355085
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
CID 170374738
2-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylbenzonitrile;2-[3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylphenyl]benzonitrile
CID 161466472
8-[3-(8-cyanodibenzofuran-2-yl)-5-[3-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile
CID 146354560
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354517

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile?
The IUPAC name of 3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile (CID 146354418) is 3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile.
What is the SMILES notation for 3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile?
The canonical SMILES for 3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile is N#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)c1-c1ccccc1.
What is the InChIKey of 3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile?
The InChIKey is DFDVSOFGBPOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO2/c44-26-30-11-8-14-34(43(30)27-9-2-1-3-10-27)33-22-31(28-17-19-41-37(24-28)35-12-4-6-15-39(35)45-41)21-32(23-33)29-18-20-42-38(25-29)36-13-5-7-16-40(36)46-42/h1-25H.
What are the key properties of 3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile?
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile has a molecular weight of 587.68 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile is sourced from PubChem (CID 146354418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).