1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole

C28H24N6O — CID 71740830

IUPAC1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole
SMILESc1ccc2cc(Cn3cc(COCc4cn(Cc5ccc6ccccc6c5)nn4)nn3)ccc2c1
InChIInChI=1S/C28H24N6O/c1-3-7-25-13-21(9-11-23(25)5-1)15-33-17-27(29-31-33)19-35-20-28-18-34(32-30-28)16-22-10-12-24-6-2-4-8-26(24)14-22/h1-14,17-18H,15-16,19-20H2
InChIKeyCXMPVPXWWHXVIT-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.99
Rot. Bonds8

About 1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole

1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole (PubChem CID 71740830) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole
PubChem CID71740830
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC Name1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole
SMILESc1ccc2cc(Cn3cc(COCc4cn(Cc5ccc6ccccc6c5)nn4)nn3)ccc2c1
InChIInChI=1S/C28H24N6O/c1-3-7-25-13-21(9-11-23(25)5-1)15-33-17-27(29-31-33)19-35-20-28-18-34(32-30-28)16-22-10-12-24-6-2-4-8-26(24)14-22/h1-14,17-18H,15-16,19-20H2
InChIKeyCXMPVPXWWHXVIT-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

Analyze 1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole (CID 71740830) is 1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole is c1ccc2cc(Cn3cc(COCc4cn(Cc5ccc6ccccc6c5)nn4)nn3)ccc2c1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole?
The InChIKey is CXMPVPXWWHXVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O/c1-3-7-25-13-21(9-11-23(25)5-1)15-33-17-27(29-31-33)19-35-20-28-18-34(32-30-28)16-22-10-12-24-6-2-4-8-26(24)14-22/h1-14,17-18H,15-16,19-20H2.
What are the key properties of 1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole?
1-(naphthalen-2-ylmethyl)-4-[[1-(naphthalen-2-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-2-ylmethyl)-4-[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxymethyl]triazole is sourced from PubChem (CID 71740830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).