2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine

C25H19NO — CID 175140847

IUPAC2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine
SMILESCc1ccc(-c2ccc3oc4ccc(-c5ccccc5)cc4c3c2)c(C)n1
InChIInChI=1S/C25H19NO/c1-16-8-11-21(17(2)26-16)20-10-13-25-23(15-20)22-14-19(9-12-24(22)27-25)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyGGSFYMQRYYHMPN-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.93
Rot. Bonds2

About 2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine

2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine (PubChem CID 175140847) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine.

Molecular Properties

Compound Name2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine
PubChem CID175140847
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine
SMILESCc1ccc(-c2ccc3oc4ccc(-c5ccccc5)cc4c3c2)c(C)n1
InChIInChI=1S/C25H19NO/c1-16-8-11-21(17(2)26-16)20-10-13-25-23(15-20)22-14-19(9-12-24(22)27-25)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyGGSFYMQRYYHMPN-UHFFFAOYSA-N
XLogP6.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine?
The IUPAC name of 2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine (CID 175140847) is 2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine.
What is the SMILES notation for 2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine?
The canonical SMILES for 2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine is Cc1ccc(-c2ccc3oc4ccc(-c5ccccc5)cc4c3c2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine?
The InChIKey is GGSFYMQRYYHMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c1-16-8-11-21(17(2)26-16)20-10-13-25-23(15-20)22-14-19(9-12-24(22)27-25)18-6-4-3-5-7-18/h3-15H,1-2H3.
What are the key properties of 2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine?
2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine has a molecular weight of 349.43 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(8-phenyldibenzofuran-2-yl)pyridine is sourced from PubChem (CID 175140847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).