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

C43H25NO2 — CID 146353688

IUPAC4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)c(-c3ccccc3)c(-c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C43H25NO2/c44-26-27-14-16-28(17-15-27)32-24-35(30-18-20-41-37(22-30)33-10-4-6-12-39(33)45-41)43(29-8-2-1-3-9-29)36(25-32)31-19-21-42-38(23-31)34-11-5-7-13-40(34)46-42/h1-25H
InChIKeyCIAXAKGRBXYMBH-UHFFFAOYSA-N
MW587.68 g/mol
LogP12.03
Rot. Bonds4

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

4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile (PubChem CID 146353688) has the molecular formula C43H25NO2 and a molecular weight of 587.68 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile.

Molecular Properties

Compound Name4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
PubChem CID146353688
Molecular FormulaC43H25NO2
Molecular Weight587.68 g/mol
Exact Mass587.19
IUPAC Name4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)c(-c3ccccc3)c(-c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C43H25NO2/c44-26-27-14-16-28(17-15-27)32-24-35(30-18-20-41-37(22-30)33-10-4-6-12-39(33)45-41)43(29-8-2-1-3-9-29)36(25-32)31-19-21-42-38(23-31)34-11-5-7-13-40(34)46-42/h1-25H
InChIKeyCIAXAKGRBXYMBH-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

4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
CID 156509421
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928
5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 146354582
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 177079224
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079279
7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353959
8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354419
4-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)phenyl]benzonitrile
CID 70847349
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713
3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355352

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile?
The IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile (CID 146353688) is 4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile.
What is the SMILES notation for 4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile?
The canonical SMILES for 4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)c(-c3ccccc3)c(-c3ccc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile?
The InChIKey is CIAXAKGRBXYMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO2/c44-26-27-14-16-28(17-15-27)32-24-35(30-18-20-41-37(22-30)33-10-4-6-12-39(33)45-41)43(29-8-2-1-3-9-29)36(25-32)31-19-21-42-38(23-31)34-11-5-7-13-40(34)46-42/h1-25H.
What are the key properties of 4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile?
4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile 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 4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile is sourced from PubChem (CID 146353688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).