3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine

C52H32N4O — CID 171760980

IUPAC3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
SMILES[C-]#[N+]c1ccc(-c2cccc(-c3cccc4c3oc3c(-c5cc(-c6cccnc6)cc(-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)c5)cccc34)c2)cc1
InChIInChI=1S/C52H32N4O/c1-53-46-15-13-34(14-16-46)37-6-2-7-38(26-37)47-9-3-11-49-50-12-4-10-48(52(50)57-51(47)49)45-31-42(39-8-5-21-56-33-39)30-44(32-45)43-28-40(35-17-22-54-23-18-35)27-41(29-43)36-19-24-55-25-20-36/h2-33H
InChIKeyDWGDXHHCORAJPV-UHFFFAOYSA-N
MW728.86 g/mol
LogP13.99
Rot. Bonds7

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

3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine (PubChem CID 171760980) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
PubChem CID171760980
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
SMILES[C-]#[N+]c1ccc(-c2cccc(-c3cccc4c3oc3c(-c5cc(-c6cccnc6)cc(-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)c5)cccc34)c2)cc1
InChIInChI=1S/C52H32N4O/c1-53-46-15-13-34(14-16-46)37-6-2-7-38(26-37)47-9-3-11-49-50-12-4-10-48(52(50)57-51(47)49)45-31-42(39-8-5-21-56-33-39)30-44(32-45)43-28-40(35-17-22-54-23-18-35)27-41(29-43)36-19-24-55-25-20-36/h2-33H
InChIKeyDWGDXHHCORAJPV-UHFFFAOYSA-N
XLogP13.99
TPSA56.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3,5-dipyridin-3-ylphenyl)-5-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171761299
3-[4-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760936
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
3-[4-[6-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760974
4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine
CID 171761135
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610202
3-[7-[4-(6-isocyanodibenzofuran-4-yl)phenyl]pyren-2-yl]pyridine
CID 123783805
4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
CID 175610644
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761226
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine?
The IUPAC name of 3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine (CID 171760980) is 3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine.
What is the SMILES notation for 3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine?
The canonical SMILES for 3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine is [C-]#[N+]c1ccc(-c2cccc(-c3cccc4c3oc3c(-c5cc(-c6cccnc6)cc(-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)c5)cccc34)c2)cc1.
What is the InChIKey of 3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine?
The InChIKey is DWGDXHHCORAJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-53-46-15-13-34(14-16-46)37-6-2-7-38(26-37)47-9-3-11-49-50-12-4-10-48(52(50)57-51(47)49)45-31-42(39-8-5-21-56-33-39)30-44(32-45)43-28-40(35-17-22-54-23-18-35)27-41(29-43)36-19-24-55-25-20-36/h2-33H.
What are the key properties of 3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine?
3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine has a molecular weight of 728.86 g/mol, XLogP of 13.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine is sourced from PubChem (CID 171760980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).