5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile

C44H24N2O2 — CID 146354582

IUPAC5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c1
InChIInChI=1S/C44H24N2O2/c45-25-27-17-28(26-46)19-33(18-27)29-9-11-30(12-10-29)34-20-35(31-13-15-43-39(23-31)37-5-1-3-7-41(37)47-43)22-36(21-34)32-14-16-44-40(24-32)38-6-2-4-8-42(38)48-44/h1-24H
InChIKeyCUWIPZSGZXIFRI-UHFFFAOYSA-N
MW612.69 g/mol
LogP11.90
Rot. Bonds4

About 5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile

5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile (PubChem CID 146354582) has the molecular formula C44H24N2O2 and a molecular weight of 612.69 g/mol. Its IUPAC name is 5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
PubChem CID146354582
Molecular FormulaC44H24N2O2
Molecular Weight612.69 g/mol
Exact Mass612.18
IUPAC Name5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c1
InChIInChI=1S/C44H24N2O2/c45-25-27-17-28(26-46)19-33(18-27)29-9-11-30(12-10-29)34-20-35(31-13-15-43-39(23-31)37-5-1-3-7-41(37)47-43)22-36(21-34)32-14-16-44-40(24-32)38-6-2-4-8-42(38)48-44/h1-24H
InChIKeyCUWIPZSGZXIFRI-UHFFFAOYSA-N
XLogP11.90
TPSA73.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.69
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355100
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
3-[6-[3-dibenzofuran-2-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile
CID 171584105
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
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
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
CID 90393086
4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
CID 146353688
3-dibenzofuran-4-yl-5-[3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 90393083
4-[16-(4-cyanophenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]benzonitrile
CID 70854772
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile (CID 146354582) is 5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c1.
What is the InChIKey of 5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is CUWIPZSGZXIFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N2O2/c45-25-27-17-28(26-46)19-33(18-27)29-9-11-30(12-10-29)34-20-35(31-13-15-43-39(23-31)37-5-1-3-7-41(37)47-43)22-36(21-34)32-14-16-44-40(24-32)38-6-2-4-8-42(38)48-44/h1-24H.
What are the key properties of 5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile?
5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 612.69 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146354582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).