2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile

C41H25N3O — CID 175610988

IUPAC2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1-c1cccc2c1oc1c(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)cccc12
InChIInChI=1S/C41H25N3O/c42-24-27-9-1-2-12-33(27)35-13-3-4-14-36(35)37-16-6-18-39-38-17-5-15-34(40(38)45-41(37)39)32-22-30(28-10-7-19-43-25-28)21-31(23-32)29-11-8-20-44-26-29/h1-23,25-26H
InChIKeyHGUYBLSGAZXYOQ-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.58
Rot. Bonds5

About 2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile

2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile (PubChem CID 175610988) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile
PubChem CID175610988
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1-c1cccc2c1oc1c(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)cccc12
InChIInChI=1S/C41H25N3O/c42-24-27-9-1-2-12-33(27)35-13-3-4-14-36(35)37-16-6-18-39-38-17-5-15-34(40(38)45-41(37)39)32-22-30(28-10-7-19-43-25-28)21-31(23-32)29-11-8-20-44-26-29/h1-23,25-26H
InChIKeyHGUYBLSGAZXYOQ-UHFFFAOYSA-N
XLogP10.58
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
CID 175610644
2-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]benzonitrile
CID 175610878
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610202
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 171761124
3-[3-(3,5-dipyridin-3-ylphenyl)-5-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171761299
3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine
CID 171760954
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
2-[6-(4-pyridin-3-ylphenyl)dibenzothiophen-4-yl]benzonitrile
CID 175610775
2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171761227
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile?
The IUPAC name of 2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile (CID 175610988) is 2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccccc1-c1cccc2c1oc1c(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)cccc12.
What is the InChIKey of 2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile?
The InChIKey is HGUYBLSGAZXYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c42-24-27-9-1-2-12-33(27)35-13-3-4-14-36(35)37-16-6-18-39-38-17-5-15-34(40(38)45-41(37)39)32-22-30(28-10-7-19-43-25-28)21-31(23-32)29-11-8-20-44-26-29/h1-23,25-26H.
What are the key properties of 2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile?
2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile has a molecular weight of 575.67 g/mol, XLogP of 10.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 175610988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).