2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine

C37H25NO — CID 88884843

IUPAC2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine
SMILESCCc1ccc(-c2ccc3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ccccc4c3c2)nc1
InChIInChI=1S/C37H25NO/c1-2-23-11-17-35(38-22-23)26-13-16-30-29-15-12-24(19-32(29)27-7-3-4-8-28(27)33(30)21-26)25-14-18-37-34(20-25)31-9-5-6-10-36(31)39-37/h3-22H,2H2,1H3
InChIKeySBENDXGISJZLBU-UHFFFAOYSA-N
MW499.61 g/mol
LogP10.34
Rot. Bonds3

About 2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine

2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine (PubChem CID 88884843) has the molecular formula C37H25NO and a molecular weight of 499.61 g/mol. Its IUPAC name is 2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine.

Molecular Properties

Compound Name2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine
PubChem CID88884843
Molecular FormulaC37H25NO
Molecular Weight499.61 g/mol
Exact Mass499.19
IUPAC Name2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine
SMILESCCc1ccc(-c2ccc3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ccccc4c3c2)nc1
InChIInChI=1S/C37H25NO/c1-2-23-11-17-35(38-22-23)26-13-16-30-29-15-12-24(19-32(29)27-7-3-4-8-28(27)33(30)21-26)25-14-18-37-34(20-25)31-9-5-6-10-36(31)39-37/h3-22H,2H2,1H3
InChIKeySBENDXGISJZLBU-UHFFFAOYSA-N
XLogP10.34
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine?
The IUPAC name of 2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine (CID 88884843) is 2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine.
What is the SMILES notation for 2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine?
The canonical SMILES for 2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine is CCc1ccc(-c2ccc3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ccccc4c3c2)nc1.
What is the InChIKey of 2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine?
The InChIKey is SBENDXGISJZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO/c1-2-23-11-17-35(38-22-23)26-13-16-30-29-15-12-24(19-32(29)27-7-3-4-8-28(27)33(30)21-26)25-14-18-37-34(20-25)31-9-5-6-10-36(31)39-37/h3-22H,2H2,1H3.
What are the key properties of 2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine?
2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine has a molecular weight of 499.61 g/mol, XLogP of 10.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-2-yltriphenylen-2-yl)-5-ethylpyridine is sourced from PubChem (CID 88884843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).