2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine

C26H18N2O — CID 171576860

IUPAC2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine
SMILES[C-]#[N+]c1ccc(-c2ccnc(-c3ccc(CC)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C26H18N2O/c1-3-17-10-13-21(26-25(17)22-6-4-5-7-24(22)29-26)23-16-19(14-15-28-23)18-8-11-20(27-2)12-9-18/h4-16H,3H2,1H3
InChIKeyIJWFYRJEAMMIAW-UHFFFAOYSA-N
MW374.44 g/mol
LogP7.43
Rot. Bonds3

About 2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine

2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine (PubChem CID 171576860) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine.

Molecular Properties

Compound Name2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine
PubChem CID171576860
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine
SMILES[C-]#[N+]c1ccc(-c2ccnc(-c3ccc(CC)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C26H18N2O/c1-3-17-10-13-21(26-25(17)22-6-4-5-7-24(22)29-26)23-16-19(14-15-28-23)18-8-11-20(27-2)12-9-18/h4-16H,3H2,1H3
InChIKeyIJWFYRJEAMMIAW-UHFFFAOYSA-N
XLogP7.43
TPSA30.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 57.43
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

2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine
CID 171576718
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran
CID 89027124
trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane
CID 164802865
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 88534205
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
10-[4-(4-isocyanophenyl)naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 154595609
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
CID 164796614
4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine
CID 165167951
4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
CID 129199601

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine?
The IUPAC name of 2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine (CID 171576860) is 2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine.
What is the SMILES notation for 2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine?
The canonical SMILES for 2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine is [C-]#[N+]c1ccc(-c2ccnc(-c3ccc(CC)c4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine?
The InChIKey is IJWFYRJEAMMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O/c1-3-17-10-13-21(26-25(17)22-6-4-5-7-24(22)29-26)23-16-19(14-15-28-23)18-8-11-20(27-2)12-9-18/h4-16H,3H2,1H3.
What are the key properties of 2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine?
2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine has a molecular weight of 374.44 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine is sourced from PubChem (CID 171576860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).