2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine

C30H29NO — CID 166574932

IUPAC2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
SMILESCCC(CC)c1ccnc(-c2cccc3c2oc2cc(-c4cc(C)cc(C)c4)ccc23)c1
InChIInChI=1S/C30H29NO/c1-5-21(6-2)23-12-13-31-28(17-23)27-9-7-8-26-25-11-10-22(18-29(25)32-30(26)27)24-15-19(3)14-20(4)16-24/h7-18,21H,5-6H2,1-4H3
InChIKeyFLRDLAVNWGJGOZ-UHFFFAOYSA-N
MW419.57 g/mol
LogP8.84
Rot. Bonds5

About 2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine

2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine (PubChem CID 166574932) has the molecular formula C30H29NO and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine.

Molecular Properties

Compound Name2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
PubChem CID166574932
Molecular FormulaC30H29NO
Molecular Weight419.57 g/mol
Exact Mass419.22
IUPAC Name2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
SMILESCCC(CC)c1ccnc(-c2cccc3c2oc2cc(-c4cc(C)cc(C)c4)ccc23)c1
InChIInChI=1S/C30H29NO/c1-5-21(6-2)23-12-13-31-28(17-23)27-9-7-8-26-25-11-10-22(18-29(25)32-30(26)27)24-15-19(3)14-20(4)16-24/h7-18,21H,5-6H2,1-4H3
InChIKeyFLRDLAVNWGJGOZ-UHFFFAOYSA-N
XLogP8.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 58.84
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-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611540
4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine
CID 155611887
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
2-[7-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575248
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
CID 166573663
8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 155612290
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
2-[7-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166575619

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine?
The IUPAC name of 2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine (CID 166574932) is 2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine.
What is the SMILES notation for 2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine?
The canonical SMILES for 2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine is CCC(CC)c1ccnc(-c2cccc3c2oc2cc(-c4cc(C)cc(C)c4)ccc23)c1.
What is the InChIKey of 2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine?
The InChIKey is FLRDLAVNWGJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO/c1-5-21(6-2)23-12-13-31-28(17-23)27-9-7-8-26-25-11-10-22(18-29(25)32-30(26)27)24-15-19(3)14-20(4)16-24/h7-18,21H,5-6H2,1-4H3.
What are the key properties of 2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine?
2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine has a molecular weight of 419.57 g/mol, XLogP of 8.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine is sourced from PubChem (CID 166574932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).