3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile

C43H25NO2 — CID 146354823

IUPAC3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2c(-c3cccc4c3oc3ccccc34)cccc2-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C43H25NO2/c44-26-27-23-29(28-11-2-1-3-12-28)25-30(24-27)41-33(37-19-9-17-35-31-13-4-6-21-39(31)45-42(35)37)15-8-16-34(41)38-20-10-18-36-32-14-5-7-22-40(32)46-43(36)38/h1-25H
InChIKeyVQBZXZFGQQQGOY-UHFFFAOYSA-N
MW587.68 g/mol
LogP12.03
Rot. Bonds4

About 3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile

3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile (PubChem CID 146354823) has the molecular formula C43H25NO2 and a molecular weight of 587.68 g/mol. Its IUPAC name is 3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile.

Molecular Properties

Compound Name3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
PubChem CID146354823
Molecular FormulaC43H25NO2
Molecular Weight587.68 g/mol
Exact Mass587.19
IUPAC Name3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2c(-c3cccc4c3oc3ccccc34)cccc2-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C43H25NO2/c44-26-27-23-29(28-11-2-1-3-12-28)25-30(24-27)41-33(37-19-9-17-35-31-13-4-6-21-39(31)45-42(35)37)15-8-16-34(41)38-20-10-18-36-32-14-5-7-22-40(32)46-43(36)38/h1-25H
InChIKeyVQBZXZFGQQQGOY-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

3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
CID 90393086
3-dibenzofuran-4-yl-5-[3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 90393083
3-[4-(3-cyano-5-dibenzofuran-4-ylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;5-[3-(3-cyano-4-dibenzofuran-4-ylphenyl)phenyl]-2-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-phenylphenyl]-5-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-(3-phenylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-(4-phenylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;3-dibenzofuran-4-yl-5-[4-(3-dibenzofuran-4-ylphenyl)phenyl]benzonitrile;3-dibenzofuran-4-yl-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]benzonitrile;3-dibenzofuran-4-yl-5-[3-(3-dibenzofuran-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 159814900
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 146355644
3,5-bis[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]benzonitrile
CID 70847322
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
2-(4-dibenzofuran-4-ylphenyl)-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 159714713
2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
CID 90393112

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile?
The IUPAC name of 3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile (CID 146354823) is 3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile.
What is the SMILES notation for 3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile?
The canonical SMILES for 3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile is N#Cc1cc(-c2ccccc2)cc(-c2c(-c3cccc4c3oc3ccccc34)cccc2-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile?
The InChIKey is VQBZXZFGQQQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO2/c44-26-27-23-29(28-11-2-1-3-12-28)25-30(24-27)41-33(37-19-9-17-35-31-13-4-6-21-39(31)45-42(35)37)15-8-16-34(41)38-20-10-18-36-32-14-5-7-22-40(32)46-43(36)38/h1-25H.
What are the key properties of 3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile?
3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-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-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile is sourced from PubChem (CID 146354823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).