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

C30H28N6 — CID 71740604

IUPAC1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole
SMILESc1ccc2c(Cn3cc(CCCCc4cn(Cc5cccc6ccccc56)nn4)nn3)cccc2c1
InChIInChI=1S/C30H28N6/c1-5-17-29-23(9-1)11-7-13-25(29)19-35-21-27(31-33-35)15-3-4-16-28-22-36(34-32-28)20-26-14-8-12-24-10-2-6-18-30(24)26/h1-2,5-14,17-18,21-22H,3-4,15-16,19-20H2
InChIKeyGYWBLKRAWMHTAL-UHFFFAOYSA-N
MW472.60 g/mol
LogP5.84
Rot. Bonds9

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

1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole (PubChem CID 71740604) has the molecular formula C30H28N6 and a molecular weight of 472.60 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole
PubChem CID71740604
Molecular FormulaC30H28N6
Molecular Weight472.60 g/mol
Exact Mass472.24
IUPAC Name1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole
SMILESc1ccc2c(Cn3cc(CCCCc4cn(Cc5cccc6ccccc56)nn4)nn3)cccc2c1
InChIInChI=1S/C30H28N6/c1-5-17-29-23(9-1)11-7-13-25(29)19-35-21-27(31-33-35)15-3-4-16-28-22-36(34-32-28)20-26-14-8-12-24-10-2-6-18-30(24)26/h1-2,5-14,17-18,21-22H,3-4,15-16,19-20H2
InChIKeyGYWBLKRAWMHTAL-UHFFFAOYSA-N
XLogP5.84
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Related Compounds

1-[2-(1,4-Dioxan-2-yl)ethyl]-5-ethyl-4-[3-ethyl-4-[1-(naphthalen-2-ylmethyl)triazol-4-yl]phenyl]triazole
CID 46902868
3-[1-[6-[4-(2-Phenylphenyl)triazol-1-yl]hexyl]triazol-4-yl]pyridine
CID 86306022
3-[1-[7-[4-(2-Phenylphenyl)triazol-1-yl]heptyl]triazol-4-yl]pyridine
CID 86306023
3-[1-[8-[4-(2-Phenylphenyl)triazol-1-yl]octyl]triazol-4-yl]pyridine
CID 86306024
2-(4-Perylen-3-yltriazol-1-yl)ethanol
CID 142771128
2-(4-Perylen-2-yltriazol-1-yl)ethanol
CID 142771131
4-(3-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152015157
1-(Naphthalen-2-ylmethyl)-4-(4-pentylphenyl)triazole
CID 24789340
1-Benzyl-5-[3-ethyl-4-[1-(2-methylpropyl)triazol-4-yl]phenyl]triazole
CID 46902867
1-(Naphthalen-2-ylmethyl)-4-[4-[1-(naphthalen-2-ylmethyl)triazol-4-yl]butyl]triazole
CID 71740605
1-(Naphthalen-1-ylmethyl)-4-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methoxymethyl]triazole
CID 71740717
1-[1-(naphthalen-1-ylmethyl)triazol-4-yl]-N,N-bis[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methyl]methanamine
CID 71741201

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole (CID 71740604) is 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole is c1ccc2c(Cn3cc(CCCCc4cn(Cc5cccc6ccccc56)nn4)nn3)cccc2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole?
The InChIKey is GYWBLKRAWMHTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6/c1-5-17-29-23(9-1)11-7-13-25(29)19-35-21-27(31-33-35)15-3-4-16-28-22-36(34-32-28)20-26-14-8-12-24-10-2-6-18-30(24)26/h1-2,5-14,17-18,21-22H,3-4,15-16,19-20H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole?
1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole has a molecular weight of 472.60 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]butyl]triazole is sourced from PubChem (CID 71740604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).