2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol

C30H26N2O — CID 135433141

IUPAC2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)Cc3cccc4ccccc34)n2)ccc1O
InChIInChI=1S/C30H26N2O/c1-21-17-24(15-16-29(21)33)28-18-26(22-9-4-3-5-10-22)19-30(31-28)32(2)20-25-13-8-12-23-11-6-7-14-27(23)25/h3-19,33H,20H2,1-2H3
InChIKeyLJASMGFZSABLPZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP7.22
Rot. Bonds5

About 2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol

2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol (PubChem CID 135433141) has the molecular formula C30H26N2O and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol
PubChem CID135433141
Molecular FormulaC30H26N2O
Molecular Weight430.55 g/mol
Exact Mass430.20
IUPAC Name2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)Cc3cccc4ccccc34)n2)ccc1O
InChIInChI=1S/C30H26N2O/c1-21-17-24(15-16-29(21)33)28-18-26(22-9-4-3-5-10-22)19-30(31-28)32(2)20-25-13-8-12-23-11-6-7-14-27(23)25/h3-19,33H,20H2,1-2H3
InChIKeyLJASMGFZSABLPZ-UHFFFAOYSA-N
XLogP7.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol?
The IUPAC name of 2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol (CID 135433141) is 2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol.
What is the SMILES notation for 2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol?
The canonical SMILES for 2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol is Cc1cc(-c2cc(-c3ccccc3)cc(N(C)Cc3cccc4ccccc34)n2)ccc1O.
What is the InChIKey of 2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol?
The InChIKey is LJASMGFZSABLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O/c1-21-17-24(15-16-29(21)33)28-18-26(22-9-4-3-5-10-22)19-30(31-28)32(2)20-25-13-8-12-23-11-6-7-14-27(23)25/h3-19,33H,20H2,1-2H3.
What are the key properties of 2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol?
2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol has a molecular weight of 430.55 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-[methyl(naphthalen-1-ylmethyl)amino]-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 135433141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).