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

C43H25NO2 — CID 146353744

IUPAC2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)cccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C43H25NO2/c44-26-39-31(27-11-2-1-3-12-27)15-8-16-32(39)28-23-29(33-17-9-19-37-35-13-4-6-21-40(35)45-42(33)37)25-30(24-28)34-18-10-20-38-36-14-5-7-22-41(36)46-43(34)38/h1-25H
InChIKeySPTXPAVZATULGC-UHFFFAOYSA-N
MW587.68 g/mol
LogP12.03
Rot. Bonds4

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

2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile (PubChem CID 146353744) has the molecular formula C43H25NO2 and a molecular weight of 587.68 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
PubChem CID146353744
Molecular FormulaC43H25NO2
Molecular Weight587.68 g/mol
Exact Mass587.19
IUPAC Name2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)cccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C43H25NO2/c44-26-39-31(27-11-2-1-3-12-27)15-8-16-32(39)28-23-29(33-17-9-19-37-35-13-4-6-21-40(35)45-42(33)37)25-30(24-28)34-18-10-20-38-36-14-5-7-22-41(36)46-43(34)38/h1-25H
InChIKeySPTXPAVZATULGC-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

2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
CID 90393112
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
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
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
4-[6-(3-cyanophenyl)dibenzofuran-4-yl]-2,6-diphenylbenzonitrile
CID 176994431
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
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile?
The IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile (CID 146353744) is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile?
The canonical SMILES for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile is N#Cc1c(-c2ccccc2)cccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile?
The InChIKey is SPTXPAVZATULGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO2/c44-26-39-31(27-11-2-1-3-12-27)15-8-16-32(39)28-23-29(33-17-9-19-37-35-13-4-6-21-40(35)45-42(33)37)25-30(24-28)34-18-10-20-38-36-14-5-7-22-41(36)46-43(34)38/h1-25H.
What are the key properties of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile?
2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-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 2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile is sourced from PubChem (CID 146353744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).