1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole

C28H24N6O — CID 71740717

IUPAC1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole
SMILESc1ccc2c(Cn3cc(COCc4cn(Cc5cccc6ccccc56)nn4)nn3)cccc2c1
InChIInChI=1S/C28H24N6O/c1-3-13-27-21(7-1)9-5-11-23(27)15-33-17-25(29-31-33)19-35-20-26-18-34(32-30-26)16-24-12-6-10-22-8-2-4-14-28(22)24/h1-14,17-18H,15-16,19-20H2
InChIKeyWZOWMZPWMXOWIP-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.99
Rot. Bonds8

About 1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole

1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole (PubChem CID 71740717) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole
PubChem CID71740717
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC Name1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole
SMILESc1ccc2c(Cn3cc(COCc4cn(Cc5cccc6ccccc56)nn4)nn3)cccc2c1
InChIInChI=1S/C28H24N6O/c1-3-13-27-21(7-1)9-5-11-23(27)15-33-17-25(29-31-33)19-35-20-26-18-34(32-30-26)16-24-12-6-10-22-8-2-4-14-28(22)24/h1-14,17-18H,15-16,19-20H2
InChIKeyWZOWMZPWMXOWIP-UHFFFAOYSA-N
XLogP4.99
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole (CID 71740717) is 1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole is c1ccc2c(Cn3cc(COCc4cn(Cc5cccc6ccccc56)nn4)nn3)cccc2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole?
The InChIKey is WZOWMZPWMXOWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O/c1-3-13-27-21(7-1)9-5-11-23(27)15-33-17-25(29-31-33)19-35-20-26-18-34(32-30-26)16-24-12-6-10-22-8-2-4-14-28(22)24/h1-14,17-18H,15-16,19-20H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole?
1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole has a molecular weight of 460.54 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole is sourced from PubChem (CID 71740717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).