4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine

C27H23NO — CID 162707121

IUPAC4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
SMILESCC(C)c1ccc2oc3ccc(-c4cc(Cc5ccccc5)ccn4)cc3c2c1
InChIInChI=1S/C27H23NO/c1-18(2)21-8-10-26-23(16-21)24-17-22(9-11-27(24)29-26)25-15-20(12-13-28-25)14-19-6-4-3-5-7-19/h3-13,15-18H,14H2,1-2H3
InChIKeyUCVPICYROLXZOS-UHFFFAOYSA-N
MW377.49 g/mol
LogP7.36
Rot. Bonds4

About 4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine

4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine (PubChem CID 162707121) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine.

Molecular Properties

Compound Name4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
PubChem CID162707121
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
SMILESCC(C)c1ccc2oc3ccc(-c4cc(Cc5ccccc5)ccn4)cc3c2c1
InChIInChI=1S/C27H23NO/c1-18(2)21-8-10-26-23(16-21)24-17-22(9-11-27(24)29-26)25-15-20(12-13-28-25)14-19-6-4-3-5-7-19/h3-13,15-18H,14H2,1-2H3
InChIKeyUCVPICYROLXZOS-UHFFFAOYSA-N
XLogP7.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 162709173
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
CID 162708112
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-benzyl-2-(4-phenylphenyl)pyridine
CID 162707059
2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 162710331
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002
6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149873
2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine
CID 162707230
4-benzyl-2-(4-fluorophenyl)pyridine
CID 162708320
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine?
The IUPAC name of 4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine (CID 162707121) is 4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine.
What is the SMILES notation for 4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine?
The canonical SMILES for 4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine is CC(C)c1ccc2oc3ccc(-c4cc(Cc5ccccc5)ccn4)cc3c2c1.
What is the InChIKey of 4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine?
The InChIKey is UCVPICYROLXZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-18(2)21-8-10-26-23(16-21)24-17-22(9-11-27(24)29-26)25-15-20(12-13-28-25)14-19-6-4-3-5-7-19/h3-13,15-18H,14H2,1-2H3.
What are the key properties of 4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine?
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine has a molecular weight of 377.49 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine is sourced from PubChem (CID 162707121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).