4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol

C33H30N2O — CID 135987665

IUPAC4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(CCc3ccccc3)Cc3ccccc3)n2)ccc1O
InChIInChI=1S/C33H30N2O/c1-25-21-29(17-18-32(25)36)31-22-30(28-15-9-4-10-16-28)23-33(34-31)35(24-27-13-7-3-8-14-27)20-19-26-11-5-2-6-12-26/h2-18,21-23,36H,19-20,24H2,1H3
InChIKeyNNSHOBXASKSVQK-UHFFFAOYSA-N
MW470.62 g/mol
LogP7.68
Rot. Bonds8

About 4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol

4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol (PubChem CID 135987665) has the molecular formula C33H30N2O and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol.

Molecular Properties

Compound Name4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol
PubChem CID135987665
Molecular FormulaC33H30N2O
Molecular Weight470.62 g/mol
Exact Mass470.24
IUPAC Name4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(CCc3ccccc3)Cc3ccccc3)n2)ccc1O
InChIInChI=1S/C33H30N2O/c1-25-21-29(17-18-32(25)36)31-22-30(28-15-9-4-10-16-28)23-33(34-31)35(24-27-13-7-3-8-14-27)20-19-26-11-5-2-6-12-26/h2-18,21-23,36H,19-20,24H2,1H3
InChIKeyNNSHOBXASKSVQK-UHFFFAOYSA-N
XLogP7.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The IUPAC name of 4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol (CID 135987665) is 4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol.
What is the SMILES notation for 4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The canonical SMILES for 4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol is Cc1cc(-c2cc(-c3ccccc3)cc(N(CCc3ccccc3)Cc3ccccc3)n2)ccc1O.
What is the InChIKey of 4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The InChIKey is NNSHOBXASKSVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O/c1-25-21-29(17-18-32(25)36)31-22-30(28-15-9-4-10-16-28)23-33(34-31)35(24-27-13-7-3-8-14-27)20-19-26-11-5-2-6-12-26/h2-18,21-23,36H,19-20,24H2,1H3.
What are the key properties of 4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol has a molecular weight of 470.62 g/mol, XLogP of 7.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[benzyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol is sourced from PubChem (CID 135987665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).