5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine

C30H18N2O — CID 171761037

IUPAC5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine
SMILES[C-]#[N+]c1cccc2c1oc1c(-c3ccc(-c4ccc(-c5ccccc5)nc4)cc3)cccc12
InChIInChI=1S/C30H18N2O/c1-31-28-12-6-11-26-25-10-5-9-24(29(25)33-30(26)28)21-15-13-20(14-16-21)23-17-18-27(32-19-23)22-7-3-2-4-8-22/h2-19H
InChIKeyMZWAKWKZILOHBI-UHFFFAOYSA-N
MW422.49 g/mol
LogP8.53
Rot. Bonds3

About 5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine

5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine (PubChem CID 171761037) has the molecular formula C30H18N2O and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine
PubChem CID171761037
Molecular FormulaC30H18N2O
Molecular Weight422.49 g/mol
Exact Mass422.14
IUPAC Name5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine
SMILES[C-]#[N+]c1cccc2c1oc1c(-c3ccc(-c4ccc(-c5ccccc5)nc4)cc3)cccc12
InChIInChI=1S/C30H18N2O/c1-31-28-12-6-11-26-25-10-5-9-24(29(25)33-30(26)28)21-15-13-20(14-16-21)23-17-18-27(32-19-23)22-7-3-2-4-8-22/h2-19H
InChIKeyMZWAKWKZILOHBI-UHFFFAOYSA-N
XLogP8.53
TPSA30.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[6-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760974
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904
3-[7-[4-(6-isocyanodibenzofuran-4-yl)phenyl]pyren-2-yl]pyridine
CID 123783805
2-naphthalen-2-yl-5-[3-(6-naphthalen-2-yl-3-pyridinyl)-5-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171760945
4-[3-(6-isocyanodibenzofuran-4-yl)-5-pyridin-4-ylphenyl]pyridine
CID 171761135
2-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 171761185
2,6-diphenyl-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761157
5-isocyano-2-(6-phenyldibenzofuran-3-yl)quinoline
CID 172523572
3-[4-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760936
4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761226
2-[5-[6-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]dibenzofuran-4-yl]pyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 121422438
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine?
The IUPAC name of 5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine (CID 171761037) is 5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine?
The canonical SMILES for 5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine is [C-]#[N+]c1cccc2c1oc1c(-c3ccc(-c4ccc(-c5ccccc5)nc4)cc3)cccc12.
What is the InChIKey of 5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine?
The InChIKey is MZWAKWKZILOHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O/c1-31-28-12-6-11-26-25-10-5-9-24(29(25)33-30(26)28)21-15-13-20(14-16-21)23-17-18-27(32-19-23)22-7-3-2-4-8-22/h2-19H.
What are the key properties of 5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine?
5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine has a molecular weight of 422.49 g/mol, XLogP of 8.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 171761037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).