2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine

C23H18ClN3 — CID 163636281

IUPAC2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESClC1=NC(c2ccc3ccccc3c2)N=C(C2=Cc3ccccc3CC2)N1
InChIInChI=1S/C23H18ClN3/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/h1-9,11,13-14,21H,10,12H2,(H,25,26,27)
InChIKeyIAJDVYHMFIHOPO-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.46
Rot. Bonds2

About 2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine

2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine (PubChem CID 163636281) has the molecular formula C23H18ClN3 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
PubChem CID163636281
Molecular FormulaC23H18ClN3
Molecular Weight371.87 g/mol
Exact Mass371.12
IUPAC Name2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESClC1=NC(c2ccc3ccccc3c2)N=C(C2=Cc3ccccc3CC2)N1
InChIInChI=1S/C23H18ClN3/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/h1-9,11,13-14,21H,10,12H2,(H,25,26,27)
InChIKeyIAJDVYHMFIHOPO-UHFFFAOYSA-N
XLogP5.46
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine (CID 163636281) is 2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine is ClC1=NC(c2ccc3ccccc3c2)N=C(C2=Cc3ccccc3CC2)N1.
What is the InChIKey of 2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The InChIKey is IAJDVYHMFIHOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3/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/h1-9,11,13-14,21H,10,12H2,(H,25,26,27).
What are the key properties of 2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine has a molecular weight of 371.87 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 163636281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).