4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine

C29H17N3O — CID 171761135

IUPAC4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine
SMILES[C-]#[N+]c1cccc2c1oc1c(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)cccc12
InChIInChI=1S/C29H17N3O/c1-30-27-7-3-6-26-25-5-2-4-24(28(25)33-29(26)27)23-17-21(19-8-12-31-13-9-19)16-22(18-23)20-10-14-32-15-11-20/h2-18H
InChIKeyNLBPMYRBQUQUEQ-UHFFFAOYSA-N
MW423.48 g/mol
LogP7.93
Rot. Bonds3

About 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine

4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine (PubChem CID 171761135) has the molecular formula C29H17N3O and a molecular weight of 423.48 g/mol. Its IUPAC name is 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine.

Molecular Properties

Compound Name4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine
PubChem CID171761135
Molecular FormulaC29H17N3O
Molecular Weight423.48 g/mol
Exact Mass423.14
IUPAC Name4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine
SMILES[C-]#[N+]c1cccc2c1oc1c(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)cccc12
InChIInChI=1S/C29H17N3O/c1-30-27-7-3-6-26-25-5-2-4-24(28(25)33-29(26)27)23-17-21(19-8-12-31-13-9-19)16-22(18-23)20-10-14-32-15-11-20/h2-18H
InChIKeyNLBPMYRBQUQUEQ-UHFFFAOYSA-N
XLogP7.93
TPSA43.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760980
3-[7-[4-(6-isocyanodibenzofuran-4-yl)phenyl]pyren-2-yl]pyridine
CID 123783805
3-[4-[6-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760974
4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761226
2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171761227
3-[3-(3,5-dipyridin-3-ylphenyl)-5-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171761299
5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine
CID 171761037
N-(4-dibenzofuran-4-ylphenyl)-3,4-diisocyano-N-(4-pyridin-4-ylphenyl)aniline
CID 169061655
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
3-[4-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760936
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610202

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine?
The IUPAC name of 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine (CID 171761135) is 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine.
What is the SMILES notation for 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine?
The canonical SMILES for 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine is [C-]#[N+]c1cccc2c1oc1c(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)cccc12.
What is the InChIKey of 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine?
The InChIKey is NLBPMYRBQUQUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N3O/c1-30-27-7-3-6-26-25-5-2-4-24(28(25)33-29(26)27)23-17-21(19-8-12-31-13-9-19)16-22(18-23)20-10-14-32-15-11-20/h2-18H.
What are the key properties of 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine?
4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine has a molecular weight of 423.48 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine is sourced from PubChem (CID 171761135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).