3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile

C43H25NOS — CID 146355648

IUPAC3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C43H25NOS/c44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)38-24-30(34-13-8-14-37-36-12-5-7-16-42(36)46-43(34)37)17-19-33(38)29-18-20-41-39(25-29)35-11-4-6-15-40(35)45-41/h1-25H
InChIKeyJHKCZFSYOAYGPQ-UHFFFAOYSA-N
MW603.75 g/mol
LogP12.49
Rot. Bonds4

About 3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile

3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile (PubChem CID 146355648) has the molecular formula C43H25NOS and a molecular weight of 603.75 g/mol. Its IUPAC name is 3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile.

Molecular Properties

Compound Name3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile
PubChem CID146355648
Molecular FormulaC43H25NOS
Molecular Weight603.75 g/mol
Exact Mass603.17
IUPAC Name3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C43H25NOS/c44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)38-24-30(34-13-8-14-37-36-12-5-7-16-42(36)46-43(34)37)17-19-33(38)29-18-20-41-39(25-29)35-11-4-6-15-40(35)45-41/h1-25H
InChIKeyJHKCZFSYOAYGPQ-UHFFFAOYSA-N
XLogP12.49
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.75
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3,5-di(dibenzothiophen-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354722
3-(3-dibenzofuran-3-yl-5-dibenzothiophen-4-ylphenyl)benzonitrile
CID 146354219
2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 146355085
3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355675
3-dibenzothiophen-4-yl-5-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]benzonitrile
CID 90393153
3-dibenzothiophen-4-yl-5-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]benzonitrile
CID 90393176
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
4-[3-(4-dibenzofuran-2-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171584514
3-[2,5-di(dibenzothiophen-2-yl)phenyl]-5-phenylbenzonitrile
CID 146354226
3-(2-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 146355644
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355100
8-[4-(2-cyanophenyl)-2-dibenzothiophen-2-ylphenyl]dibenzofuran-2-carbonitrile;5-dibenzofuran-2-yl-4-dibenzothiophen-3-yl-2-phenylbenzonitrile;2-(4-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-2-phenylphenyl)benzonitrile;3-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
CID 160866332

Frequently Asked Questions

What is the IUPAC name of 3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile?
The IUPAC name of 3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile (CID 146355648) is 3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile.
What is the SMILES notation for 3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile?
The canonical SMILES for 3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile is N#Cc1cc(-c2ccccc2)cc(-c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile?
The InChIKey is JHKCZFSYOAYGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NOS/c44-26-27-21-31(28-9-2-1-3-10-28)23-32(22-27)38-24-30(34-13-8-14-37-36-12-5-7-16-42(36)46-43(34)37)17-19-33(38)29-18-20-41-39(25-29)35-11-4-6-15-40(35)45-41/h1-25H.
What are the key properties of 3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile?
3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile has a molecular weight of 603.75 g/mol, XLogP of 12.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile is sourced from PubChem (CID 146355648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).