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

C32H24N6 — CID 71740955

IUPAC1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole
SMILESc1ccc2c(Cn3cc(-c4ccc(-c5cn(Cc6cccc7ccccc67)nn5)cc4)nn3)cccc2c1
InChIInChI=1S/C32H24N6/c1-3-13-29-23(7-1)9-5-11-27(29)19-37-21-31(33-35-37)25-15-17-26(18-16-25)32-22-38(36-34-32)20-28-12-6-10-24-8-2-4-14-30(24)28/h1-18,21-22H,19-20H2
InChIKeyMFWXIVGRHMZEMO-UHFFFAOYSA-N
MW492.59 g/mol
LogP6.61
Rot. Bonds6

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

1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole (PubChem CID 71740955) has the molecular formula C32H24N6 and a molecular weight of 492.59 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole
PubChem CID71740955
Molecular FormulaC32H24N6
Molecular Weight492.59 g/mol
Exact Mass492.21
IUPAC Name1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole
SMILESc1ccc2c(Cn3cc(-c4ccc(-c5cn(Cc6cccc7ccccc67)nn5)cc4)nn3)cccc2c1
InChIInChI=1S/C32H24N6/c1-3-13-29-23(7-1)9-5-11-27(29)19-37-21-31(33-35-37)25-15-17-26(18-16-25)32-22-38(36-34-32)20-28-12-6-10-24-8-2-4-14-30(24)28/h1-18,21-22H,19-20H2
InChIKeyMFWXIVGRHMZEMO-UHFFFAOYSA-N
XLogP6.61
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole (CID 71740955) is 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole is c1ccc2c(Cn3cc(-c4ccc(-c5cn(Cc6cccc7ccccc67)nn5)cc4)nn3)cccc2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole?
The InChIKey is MFWXIVGRHMZEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6/c1-3-13-29-23(7-1)9-5-11-27(29)19-37-21-31(33-35-37)25-15-17-26(18-16-25)32-22-38(36-34-32)20-28-12-6-10-24-8-2-4-14-30(24)28/h1-18,21-22H,19-20H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole?
1-(naphthalen-1-ylmethyl)-4-[4-[1-(naphthalen-1-ylmethyl)triazol-4-yl]phenyl]triazole has a molecular weight of 492.59 g/mol, XLogP of 6.61, 6 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]phenyl]triazole is sourced from PubChem (CID 71740955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).