2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine

C36H32N6O2 — CID 603635

IUPAC2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(COCc3cccc(-c4cccc(COCc5cccc(-c6cccc(C)n6)n5)n4)n3)n2)n1
InChIInChI=1S/C36H32N6O2/c1-25-9-3-15-31(37-25)33-17-5-11-27(39-33)21-43-23-29-13-7-19-35(41-29)36-20-8-14-30(42-36)24-44-22-28-12-6-18-34(40-28)32-16-4-10-26(2)38-32/h3-20H,21-24H2,1-2H3
InChIKeyYOCKAEALPXCPNU-UHFFFAOYSA-N
MW580.69 g/mol
LogP7.11
Rot. Bonds11

About 2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine

2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine (PubChem CID 603635) has the molecular formula C36H32N6O2 and a molecular weight of 580.69 g/mol. Its IUPAC name is 2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine
PubChem CID603635
Molecular FormulaC36H32N6O2
Molecular Weight580.69 g/mol
Exact Mass580.26
IUPAC Name2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(COCc3cccc(-c4cccc(COCc5cccc(-c6cccc(C)n6)n5)n4)n3)n2)n1
InChIInChI=1S/C36H32N6O2/c1-25-9-3-15-31(37-25)33-17-5-11-27(39-33)21-43-23-29-13-7-19-35(41-29)36-20-8-14-30(42-36)24-44-22-28-12-6-18-34(40-28)32-16-4-10-26(2)38-32/h3-20H,21-24H2,1-2H3
InChIKeyYOCKAEALPXCPNU-UHFFFAOYSA-N
XLogP7.11
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine (CID 603635) is 2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine is Cc1cccc(-c2cccc(COCc3cccc(-c4cccc(COCc5cccc(-c6cccc(C)n6)n5)n4)n3)n2)n1.
What is the InChIKey of 2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine?
The InChIKey is YOCKAEALPXCPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O2/c1-25-9-3-15-31(37-25)33-17-5-11-27(39-33)21-43-23-29-13-7-19-35(41-29)36-20-8-14-30(42-36)24-44-22-28-12-6-18-34(40-28)32-16-4-10-26(2)38-32/h3-20H,21-24H2,1-2H3.
What are the key properties of 2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine?
2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine has a molecular weight of 580.69 g/mol, XLogP of 7.11, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 603635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).