5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine

C28H25NO — CID 166573825

IUPAC5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
SMILESCc1ccc(-c2ccc3c(c2)oc2c(-c4cc(C(C)C)c(C)cn4)cccc23)cc1
InChIInChI=1S/C28H25NO/c1-17(2)25-15-26(29-16-19(25)4)24-7-5-6-23-22-13-12-21(14-27(22)30-28(23)24)20-10-8-18(3)9-11-20/h5-17H,1-4H3
InChIKeyRHBBHYUSPKQBHV-UHFFFAOYSA-N
MW391.51 g/mol
LogP8.06
Rot. Bonds3

About 5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine

5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine (PubChem CID 166573825) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is 5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
PubChem CID166573825
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
SMILESCc1ccc(-c2ccc3c(c2)oc2c(-c4cc(C(C)C)c(C)cn4)cccc23)cc1
InChIInChI=1S/C28H25NO/c1-17(2)25-15-26(29-16-19(25)4)24-7-5-6-23-22-13-12-21(14-27(22)30-28(23)24)20-10-8-18(3)9-11-20/h5-17H,1-4H3
InChIKeyRHBBHYUSPKQBHV-UHFFFAOYSA-N
XLogP8.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 169038594
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine
CID 170047501
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104
4-(2-deuteriopropan-2-yl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 166588109
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 156624479
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine
CID 164825526
2-methyl-8-[5-methyl-4-(3-methylbutan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 166498835
2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine
CID 176637472

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
The IUPAC name of 5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine (CID 166573825) is 5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine is Cc1ccc(-c2ccc3c(c2)oc2c(-c4cc(C(C)C)c(C)cn4)cccc23)cc1.
What is the InChIKey of 5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
The InChIKey is RHBBHYUSPKQBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO/c1-17(2)25-15-26(29-16-19(25)4)24-7-5-6-23-22-13-12-21(14-27(22)30-28(23)24)20-10-8-18(3)9-11-20/h5-17H,1-4H3.
What are the key properties of 5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine?
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine has a molecular weight of 391.51 g/mol, XLogP of 8.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 166573825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).