2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine

C23H14ClN3 — CID 59365884

IUPAC2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESClc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C23H14ClN3/c24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKeyCNJJVLLNTJDXEA-UHFFFAOYSA-N
MW367.84 g/mol
LogP6.17
Rot. Bonds2

About 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 59365884) has the molecular formula C23H14ClN3 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID59365884
Molecular FormulaC23H14ClN3
Molecular Weight367.84 g/mol
Exact Mass367.09
IUPAC Name2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESClc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C23H14ClN3/c24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKeyCNJJVLLNTJDXEA-UHFFFAOYSA-N
XLogP6.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 59365884) is 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine is Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is CNJJVLLNTJDXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN3/c24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H.
What are the key properties of 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 367.84 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 59365884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).