2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine

C41H33F2NO — CID 169301549

IUPAC2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine
SMILESCC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cccc3c2oc2c(-c4c(F)cc(-c5ccccc5)cc4F)cccc23)c1
InChIInChI=1S/C41H33F2NO/c1-24(2)29-13-8-14-30(25(3)4)38(29)27-19-20-44-37(23-27)33-17-9-15-31-32-16-10-18-34(41(32)45-40(31)33)39-35(42)21-28(22-36(39)43)26-11-6-5-7-12-26/h5-25H,1-4H3
InChIKeyBWJGXZFNGGHMHM-UHFFFAOYSA-N
MW593.72 g/mol
LogP12.17
Rot. Bonds6

About 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine

2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine (PubChem CID 169301549) has the molecular formula C41H33F2NO and a molecular weight of 593.72 g/mol. Its IUPAC name is 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine
PubChem CID169301549
Molecular FormulaC41H33F2NO
Molecular Weight593.72 g/mol
Exact Mass593.25
IUPAC Name2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine
SMILESCC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cccc3c2oc2c(-c4c(F)cc(-c5ccccc5)cc4F)cccc23)c1
InChIInChI=1S/C41H33F2NO/c1-24(2)29-13-8-14-30(25(3)4)38(29)27-19-20-44-37(23-27)33-17-9-15-31-32-16-10-18-34(41(32)45-40(31)33)39-35(42)21-28(22-36(39)43)26-11-6-5-7-12-26/h5-25H,1-4H3
InChIKeyBWJGXZFNGGHMHM-UHFFFAOYSA-N
XLogP12.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.72
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine with MolForge

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Related Compounds

2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine
CID 162708532
trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)dibenzofuran-3-yl]germane
CID 164832486
2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 165385994
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-(6,8-difluoro-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176583813
4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 171723980
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine?
The IUPAC name of 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine (CID 169301549) is 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine.
What is the SMILES notation for 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine?
The canonical SMILES for 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine is CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2cccc3c2oc2c(-c4c(F)cc(-c5ccccc5)cc4F)cccc23)c1.
What is the InChIKey of 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine?
The InChIKey is BWJGXZFNGGHMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33F2NO/c1-24(2)29-13-8-14-30(25(3)4)38(29)27-19-20-44-37(23-27)33-17-9-15-31-32-16-10-18-34(41(32)45-40(31)33)39-35(42)21-28(22-36(39)43)26-11-6-5-7-12-26/h5-25H,1-4H3.
What are the key properties of 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine?
2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine has a molecular weight of 593.72 g/mol, XLogP of 12.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine is sourced from PubChem (CID 169301549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).