4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole

C26H16Cl2N6 — CID 122222739

IUPAC4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole
SMILESClc1ccc(-c2cnn(-c3cccc4cccc(-n5ncc(-c6ccc(Cl)cc6)n5)c34)n2)cc1
InChIInChI=1S/C26H16Cl2N6/c27-20-11-7-17(8-12-20)22-15-29-33(31-22)24-5-1-3-19-4-2-6-25(26(19)24)34-30-16-23(32-34)18-9-13-21(28)14-10-18/h1-16H
InChIKeyXJCOONRFIMDLNE-UHFFFAOYSA-N
MW483.36 g/mol
LogP6.64
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole

4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole (PubChem CID 122222739) has the molecular formula C26H16Cl2N6 and a molecular weight of 483.36 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole
PubChem CID122222739
Molecular FormulaC26H16Cl2N6
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC Name4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole
SMILESClc1ccc(-c2cnn(-c3cccc4cccc(-n5ncc(-c6ccc(Cl)cc6)n5)c34)n2)cc1
InChIInChI=1S/C26H16Cl2N6/c27-20-11-7-17(8-12-20)22-15-29-33(31-22)24-5-1-3-19-4-2-6-25(26(19)24)34-30-16-23(32-34)18-9-13-21(28)14-10-18/h1-16H
InChIKeyXJCOONRFIMDLNE-UHFFFAOYSA-N
XLogP6.64
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole (CID 122222739) is 4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole is Clc1ccc(-c2cnn(-c3cccc4cccc(-n5ncc(-c6ccc(Cl)cc6)n5)c34)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole?
The InChIKey is XJCOONRFIMDLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2N6/c27-20-11-7-17(8-12-20)22-15-29-33(31-22)24-5-1-3-19-4-2-6-25(26(19)24)34-30-16-23(32-34)18-9-13-21(28)14-10-18/h1-16H.
What are the key properties of 4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole?
4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole has a molecular weight of 483.36 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[8-[4-(4-chlorophenyl)triazol-2-yl]naphthalen-1-yl]triazole is sourced from PubChem (CID 122222739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).