2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile

C55H33NO2 — CID 146353689

IUPAC2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccc2)c(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)c(-c2ccccc2)c1
InChIInChI=1S/C55H33NO2/c56-34-39-17-7-8-18-44(39)42-32-47(35-13-3-1-4-14-35)55(48(33-42)36-15-5-2-6-16-36)43-28-40(37-23-25-53-49(30-37)45-19-9-11-21-51(45)57-53)27-41(29-43)38-24-26-54-50(31-38)46-20-10-12-22-52(46)58-54/h1-33H
InChIKeyXMTFCAGBUZHYSX-UHFFFAOYSA-N
MW739.87 g/mol
LogP15.36
Rot. Bonds6

About 2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile

2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile (PubChem CID 146353689) has the molecular formula C55H33NO2 and a molecular weight of 739.87 g/mol. Its IUPAC name is 2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
PubChem CID146353689
Molecular FormulaC55H33NO2
Molecular Weight739.87 g/mol
Exact Mass739.25
IUPAC Name2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccc2)c(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)c(-c2ccccc2)c1
InChIInChI=1S/C55H33NO2/c56-34-39-17-7-8-18-44(39)42-32-47(35-13-3-1-4-14-35)55(48(33-42)36-15-5-2-6-16-36)43-28-40(37-23-25-53-49(30-37)45-19-9-11-21-51(45)57-53)27-41(29-43)38-24-26-54-50(31-38)46-20-10-12-22-52(46)58-54/h1-33H
InChIKeyXMTFCAGBUZHYSX-UHFFFAOYSA-N
XLogP15.36
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.87
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354419
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 146355085
2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
CID 170374738
4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
CID 146353688
8-[3-(8-cyanodibenzofuran-2-yl)-5-[3-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile
CID 146354560
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
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile?
The IUPAC name of 2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile (CID 146353689) is 2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile.
What is the SMILES notation for 2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile?
The canonical SMILES for 2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2ccccc2)c(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)c(-c2ccccc2)c1.
What is the InChIKey of 2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile?
The InChIKey is XMTFCAGBUZHYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NO2/c56-34-39-17-7-8-18-44(39)42-32-47(35-13-3-1-4-14-35)55(48(33-42)36-15-5-2-6-16-36)43-28-40(37-23-25-53-49(30-37)45-19-9-11-21-51(45)57-53)27-41(29-43)38-24-26-54-50(31-38)46-20-10-12-22-52(46)58-54/h1-33H.
What are the key properties of 2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile?
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile has a molecular weight of 739.87 g/mol, XLogP of 15.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile is sourced from PubChem (CID 146353689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).