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

C23H16ClN3 — CID 129090176

IUPAC2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESClC1=NC(c2ccc3ccccc3c2)N=C(c2ccc3ccccc3c2)N1
InChIInChI=1S/C23H16ClN3/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/h1-14,21H,(H,25,26,27)
InChIKeyRTQFUWDNUXQZOV-UHFFFAOYSA-N
MW369.86 g/mol
LogP5.64
Rot. Bonds2

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

2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine (PubChem CID 129090176) has the molecular formula C23H16ClN3 and a molecular weight of 369.86 g/mol. Its IUPAC name is 2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
PubChem CID129090176
Molecular FormulaC23H16ClN3
Molecular Weight369.86 g/mol
Exact Mass369.10
IUPAC Name2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESClC1=NC(c2ccc3ccccc3c2)N=C(c2ccc3ccccc3c2)N1
InChIInChI=1S/C23H16ClN3/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/h1-14,21H,(H,25,26,27)
InChIKeyRTQFUWDNUXQZOV-UHFFFAOYSA-N
XLogP5.64
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.86
LogP ≤ 55.64
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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Related Compounds

2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 163636281
2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 146334619
4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029866
4-chloro-2-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030048
12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 163870306
9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline
CID 163632731
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
5-(2,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-4-yl)-12-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 89094821
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
9-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine (CID 129090176) is 2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine is ClC1=NC(c2ccc3ccccc3c2)N=C(c2ccc3ccccc3c2)N1.
What is the InChIKey of 2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The InChIKey is RTQFUWDNUXQZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3/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/h1-14,21H,(H,25,26,27).
What are the key properties of 2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine has a molecular weight of 369.86 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 129090176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).