2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine

C95H84N14O12 — CID 160932894

IUPAC2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine
SMILESCc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3cccc(C)n3)c2)n1.Cc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3cccc(C)n3)c2)n1.Cc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3nc(C)cc(C)n3)c2)n1.Cc1cccc(Oc2cc(Oc3cccc(C)n3)nc(Oc3cccc(C)n3)c2)n1
InChIInChI=1S/C24H22N4O3.2C24H21N3O3.C23H20N4O3/c1-15-7-5-9-22(25-15)29-19-12-20(30-23-10-6-8-16(2)26-23)14-21(13-19)31-24-27-17(3)11-18(4)28-24;2*1-16-7-4-10-22(25-16)28-19-13-20(29-23-11-5-8-17(2)26-23)15-21(14-19)30-24-12-6-9-18(3)27-24;1-15-7-4-10-19(24-15)28-18-13-22(29-20-11-5-8-16(2)25-20)27-23(14-18)30-21-12-6-9-17(3)26-21/h5-14H,1-4H3;2*4-15H,1-3H3;4-14H,1-3H3
InChIKeySTMMESRPFHDVHO-UHFFFAOYSA-N
MW1613.80 g/mol
LogP23.79
Rot. Bonds24

About 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine

2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine (PubChem CID 160932894) has the molecular formula C95H84N14O12 and a molecular weight of 1613.80 g/mol. Its IUPAC name is 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine.

Molecular Properties

Compound Name2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine
PubChem CID160932894
Molecular FormulaC95H84N14O12
Molecular Weight1613.80 g/mol
Exact Mass1612.64
IUPAC Name2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine
SMILESCc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3cccc(C)n3)c2)n1.Cc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3cccc(C)n3)c2)n1.Cc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3nc(C)cc(C)n3)c2)n1.Cc1cccc(Oc2cc(Oc3cccc(C)n3)nc(Oc3cccc(C)n3)c2)n1
InChIInChI=1S/C24H22N4O3.2C24H21N3O3.C23H20N4O3/c1-15-7-5-9-22(25-15)29-19-12-20(30-23-10-6-8-16(2)26-23)14-21(13-19)31-24-27-17(3)11-18(4)28-24;2*1-16-7-4-10-22(25-16)28-19-13-20(29-23-11-5-8-17(2)26-23)15-21(14-19)30-24-12-6-9-18(3)27-24;1-15-7-4-10-19(24-15)28-18-13-22(29-20-11-5-8-16(2)25-20)27-23(14-18)30-21-12-6-9-17(3)26-21/h5-14H,1-4H3;2*4-15H,1-3H3;4-14H,1-3H3
InChIKeySTMMESRPFHDVHO-UHFFFAOYSA-N
XLogP23.79
TPSA291.22 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001613.80
LogP ≤ 523.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine?
The IUPAC name of 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine (CID 160932894) is 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine.
What is the SMILES notation for 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine?
The canonical SMILES for 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine is Cc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3cccc(C)n3)c2)n1.Cc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3cccc(C)n3)c2)n1.Cc1cccc(Oc2cc(Oc3cccc(C)n3)cc(Oc3nc(C)cc(C)n3)c2)n1.Cc1cccc(Oc2cc(Oc3cccc(C)n3)nc(Oc3cccc(C)n3)c2)n1.
What is the InChIKey of 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine?
The InChIKey is STMMESRPFHDVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3.2C24H21N3O3.C23H20N4O3/c1-15-7-5-9-22(25-15)29-19-12-20(30-23-10-6-8-16(2)26-23)14-21(13-19)31-24-27-17(3)11-18(4)28-24;2*1-16-7-4-10-22(25-16)28-19-13-20(29-23-11-5-8-17(2)26-23)15-21(14-19)30-24-12-6-9-18(3)27-24;1-15-7-4-10-19(24-15)28-18-13-22(29-20-11-5-8-16(2)25-20)27-23(14-18)30-21-12-6-9-17(3)26-21/h5-14H,1-4H3;2*4-15H,1-3H3;4-14H,1-3H3.
What are the key properties of 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine?
2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine has a molecular weight of 1613.80 g/mol, XLogP of 23.79, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-4,6-dimethylpyrimidine;bis(2-[3,5-bis[(6-methyl-2-pyridinyl)oxy]phenoxy]-6-methylpyridine);2,4,6-tris[(6-methyl-2-pyridinyl)oxy]pyridine is sourced from PubChem (CID 160932894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).