3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile

C49H29NO2 — CID 90393086

IUPAC3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
SMILESN#Cc1cc(-c2cccc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C49H29NO2/c50-30-31-26-38(29-39(27-31)41-13-7-15-45-43-11-2-4-17-47(43)52-49(41)45)37-9-5-8-36(28-37)34-20-18-32(19-21-34)33-22-24-35(25-23-33)40-12-6-14-44-42-10-1-3-16-46(42)51-48(40)44/h1-29H
InChIKeySZHGOMZROXQFEC-UHFFFAOYSA-N
MW663.78 g/mol
LogP13.69
Rot. Bonds5

About 3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile

3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile (PubChem CID 90393086) has the molecular formula C49H29NO2 and a molecular weight of 663.78 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
PubChem CID90393086
Molecular FormulaC49H29NO2
Molecular Weight663.78 g/mol
Exact Mass663.22
IUPAC Name3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
SMILESN#Cc1cc(-c2cccc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C49H29NO2/c50-30-31-26-38(29-39(27-31)41-13-7-15-45-43-11-2-4-17-47(43)52-49(41)45)37-9-5-8-36(28-37)34-20-18-32(19-21-34)33-22-24-35(25-23-33)40-12-6-14-44-42-10-1-3-16-46(42)51-48(40)44/h1-29H
InChIKeySZHGOMZROXQFEC-UHFFFAOYSA-N
XLogP13.69
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354823
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
CID 90393112
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
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
CID 146353744
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile?
The IUPAC name of 3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile (CID 90393086) is 3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile is N#Cc1cc(-c2cccc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile?
The InChIKey is SZHGOMZROXQFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO2/c50-30-31-26-38(29-39(27-31)41-13-7-15-45-43-11-2-4-17-47(43)52-49(41)45)37-9-5-8-36(28-37)34-20-18-32(19-21-34)33-22-24-35(25-23-33)40-12-6-14-44-42-10-1-3-16-46(42)51-48(40)44/h1-29H.
What are the key properties of 3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile?
3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile has a molecular weight of 663.78 g/mol, XLogP of 13.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 90393086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).