2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine

C29H27NO — CID 166573874

IUPAC2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
SMILESCc1cccc(C)c1-c1cccc2c1oc1cc(-c3cc(CC(C)C)ccn3)ccc12
InChIInChI=1S/C29H27NO/c1-18(2)15-21-13-14-30-26(16-21)22-11-12-23-24-9-6-10-25(29(24)31-27(23)17-22)28-19(3)7-5-8-20(28)4/h5-14,16-18H,15H2,1-4H3
InChIKeyAAKHERHBHCJZGN-UHFFFAOYSA-N
MW405.54 g/mol
LogP8.13
Rot. Bonds4

About 2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine

2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine (PubChem CID 166573874) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
PubChem CID166573874
Molecular FormulaC29H27NO
Molecular Weight405.54 g/mol
Exact Mass405.21
IUPAC Name2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
SMILESCc1cccc(C)c1-c1cccc2c1oc1cc(-c3cc(CC(C)C)ccn3)ccc12
InChIInChI=1S/C29H27NO/c1-18(2)15-21-13-14-30-26(16-21)22-11-12-23-24-9-6-10-25(29(24)31-27(23)17-22)28-19(3)7-5-8-20(28)4/h5-14,16-18H,15H2,1-4H3
InChIKeyAAKHERHBHCJZGN-UHFFFAOYSA-N
XLogP8.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 166573986
[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium
CID 166573873
3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 162776993
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611333
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140833006
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine
CID 155611887
2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
CID 166574932
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine?
The IUPAC name of 2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine (CID 166573874) is 2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine.
What is the SMILES notation for 2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine?
The canonical SMILES for 2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine is Cc1cccc(C)c1-c1cccc2c1oc1cc(-c3cc(CC(C)C)ccn3)ccc12.
What is the InChIKey of 2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine?
The InChIKey is AAKHERHBHCJZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO/c1-18(2)15-21-13-14-30-26(16-21)22-11-12-23-24-9-6-10-25(29(24)31-27(23)17-22)28-19(3)7-5-8-20(28)4/h5-14,16-18H,15H2,1-4H3.
What are the key properties of 2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine?
2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine has a molecular weight of 405.54 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine is sourced from PubChem (CID 166573874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).