2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine

C29H29N — CID 59265435

IUPAC2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine
SMILESCCc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(C)cn4)cc3)cc2)cc1
InChIInChI=1S/C29H29N/c1-3-23-5-7-24(8-6-23)18-25-9-11-26(12-10-25)19-27-13-15-28(16-14-27)20-29-17-4-22(2)21-30-29/h4-17,21H,3,18-20H2,1-2H3
InChIKeySTWLYZBBADMWFH-UHFFFAOYSA-N
MW391.56 g/mol
LogP6.72
Rot. Bonds7

About 2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine

2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine (PubChem CID 59265435) has the molecular formula C29H29N and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine
PubChem CID59265435
Molecular FormulaC29H29N
Molecular Weight391.56 g/mol
Exact Mass391.23
IUPAC Name2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine
SMILESCCc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(C)cn4)cc3)cc2)cc1
InChIInChI=1S/C29H29N/c1-3-23-5-7-24(8-6-23)18-25-9-11-26(12-10-25)19-27-13-15-28(16-14-27)20-29-17-4-22(2)21-30-29/h4-17,21H,3,18-20H2,1-2H3
InChIKeySTWLYZBBADMWFH-UHFFFAOYSA-N
XLogP6.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine?
The IUPAC name of 2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine (CID 59265435) is 2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine.
What is the SMILES notation for 2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine?
The canonical SMILES for 2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine is CCc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(C)cn4)cc3)cc2)cc1.
What is the InChIKey of 2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine?
The InChIKey is STWLYZBBADMWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N/c1-3-23-5-7-24(8-6-23)18-25-9-11-26(12-10-25)19-27-13-15-28(16-14-27)20-29-17-4-22(2)21-30-29/h4-17,21H,3,18-20H2,1-2H3.
What are the key properties of 2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine?
2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine has a molecular weight of 391.56 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine is sourced from PubChem (CID 59265435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).