2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine

C36H31FN2O — CID 167208793

IUPAC2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine
SMILESCC1(C)CCC(C)(C)c2cc(-c3c(F)c(-c4ccncc4)cc4c3oc3c(-c5ccccn5)cccc34)ccc21
InChIInChI=1S/C36H31FN2O/c1-35(2)15-16-36(3,4)29-20-23(11-12-28(29)35)31-32(37)26(22-13-18-38-19-14-22)21-27-24-8-7-9-25(33(24)40-34(27)31)30-10-5-6-17-39-30/h5-14,17-21H,15-16H2,1-4H3
InChIKeyMWNTUDVKOQEYOO-UHFFFAOYSA-N
MW526.66 g/mol
LogP9.87
Rot. Bonds3

About 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine

2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine (PubChem CID 167208793) has the molecular formula C36H31FN2O and a molecular weight of 526.66 g/mol. Its IUPAC name is 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine
PubChem CID167208793
Molecular FormulaC36H31FN2O
Molecular Weight526.66 g/mol
Exact Mass526.24
IUPAC Name2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine
SMILESCC1(C)CCC(C)(C)c2cc(-c3c(F)c(-c4ccncc4)cc4c3oc3c(-c5ccccn5)cccc34)ccc21
InChIInChI=1S/C36H31FN2O/c1-35(2)15-16-36(3,4)29-20-23(11-12-28(29)35)31-32(37)26(22-13-18-38-19-14-22)21-27-24-8-7-9-25(33(24)40-34(27)31)30-10-5-6-17-39-30/h5-14,17-21H,15-16H2,1-4H3
InChIKeyMWNTUDVKOQEYOO-UHFFFAOYSA-N
XLogP9.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine (CID 167208793) is 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine is CC1(C)CCC(C)(C)c2cc(-c3c(F)c(-c4ccncc4)cc4c3oc3c(-c5ccccn5)cccc34)ccc21.
What is the InChIKey of 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine?
The InChIKey is MWNTUDVKOQEYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31FN2O/c1-35(2)15-16-36(3,4)29-20-23(11-12-28(29)35)31-32(37)26(22-13-18-38-19-14-22)21-27-24-8-7-9-25(33(24)40-34(27)31)30-10-5-6-17-39-30/h5-14,17-21H,15-16H2,1-4H3.
What are the key properties of 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine?
2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine has a molecular weight of 526.66 g/mol, XLogP of 9.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-8-pyridin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 167208793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).