2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine

C35H31NO — CID 162708104

IUPAC2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
SMILESCCC(CC)(c1ccccc1)c1ccnc(-c2cccc3c2oc2cc(-c4ccc(C)cc4)ccc23)c1
InChIInChI=1S/C35H31NO/c1-4-35(5-2,27-10-7-6-8-11-27)28-20-21-36-32(23-28)31-13-9-12-30-29-19-18-26(22-33(29)37-34(30)31)25-16-14-24(3)15-17-25/h6-23H,4-5H2,1-3H3
InChIKeyZSOYMDZDASEJJI-UHFFFAOYSA-N
MW481.64 g/mol
LogP9.73
Rot. Bonds6

About 2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine

2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine (PubChem CID 162708104) has the molecular formula C35H31NO and a molecular weight of 481.64 g/mol. Its IUPAC name is 2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine.

Molecular Properties

Compound Name2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
PubChem CID162708104
Molecular FormulaC35H31NO
Molecular Weight481.64 g/mol
Exact Mass481.24
IUPAC Name2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
SMILESCCC(CC)(c1ccccc1)c1ccnc(-c2cccc3c2oc2cc(-c4ccc(C)cc4)ccc23)c1
InChIInChI=1S/C35H31NO/c1-4-35(5-2,27-10-7-6-8-11-27)28-20-21-36-32(23-28)31-13-9-12-30-29-19-18-26(22-33(29)37-34(30)31)25-16-14-24(3)15-17-25/h6-23H,4-5H2,1-3H3
InChIKeyZSOYMDZDASEJJI-UHFFFAOYSA-N
XLogP9.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 169038594
2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
CID 166574932
4-(4-tert-butylphenyl)-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)pyridine
CID 166043906
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166573825
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine?
The IUPAC name of 2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine (CID 162708104) is 2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine.
What is the SMILES notation for 2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine?
The canonical SMILES for 2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine is CCC(CC)(c1ccccc1)c1ccnc(-c2cccc3c2oc2cc(-c4ccc(C)cc4)ccc23)c1.
What is the InChIKey of 2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine?
The InChIKey is ZSOYMDZDASEJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31NO/c1-4-35(5-2,27-10-7-6-8-11-27)28-20-21-36-32(23-28)31-13-9-12-30-29-19-18-26(22-33(29)37-34(30)31)25-16-14-24(3)15-17-25/h6-23H,4-5H2,1-3H3.
What are the key properties of 2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine?
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine has a molecular weight of 481.64 g/mol, XLogP of 9.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine is sourced from PubChem (CID 162708104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).