2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine

C28H25NO — CID 162708417

IUPAC2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine
SMILESCc1ccc(-c2cc(C(C)C)ccn2)c2oc3cc(Cc4ccccc4)ccc3c12
InChIInChI=1S/C28H25NO/c1-18(2)22-13-14-29-25(17-22)23-11-9-19(3)27-24-12-10-21(16-26(24)30-28(23)27)15-20-7-5-4-6-8-20/h4-14,16-18H,15H2,1-3H3
InChIKeyZUGWBWFMNXAKQL-UHFFFAOYSA-N
MW391.51 g/mol
LogP7.67
Rot. Bonds4

About 2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine

2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine (PubChem CID 162708417) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine
PubChem CID162708417
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine
SMILESCc1ccc(-c2cc(C(C)C)ccn2)c2oc3cc(Cc4ccccc4)ccc3c12
InChIInChI=1S/C28H25NO/c1-18(2)22-13-14-29-25(17-22)23-11-9-19(3)27-24-12-10-21(16-26(24)30-28(23)27)15-20-7-5-4-6-8-20/h4-14,16-18H,15H2,1-3H3
InChIKeyZUGWBWFMNXAKQL-UHFFFAOYSA-N
XLogP7.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155610853
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 166573402
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708909
1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 162709173
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine?
The IUPAC name of 2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine (CID 162708417) is 2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine is Cc1ccc(-c2cc(C(C)C)ccn2)c2oc3cc(Cc4ccccc4)ccc3c12.
What is the InChIKey of 2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine?
The InChIKey is ZUGWBWFMNXAKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO/c1-18(2)22-13-14-29-25(17-22)23-11-9-19(3)27-24-12-10-21(16-26(24)30-28(23)27)15-20-7-5-4-6-8-20/h4-14,16-18H,15H2,1-3H3.
What are the key properties of 2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine?
2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine has a molecular weight of 391.51 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 162708417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).