2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine

C27H16ClN3 — CID 171598261

IUPAC2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
SMILESClc1nc(-c2ccc3cc4ccccc4cc3c2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C27H16ClN3/c28-27-30-25(29-26(31-27)24-11-5-9-17-6-3-4-10-23(17)24)21-13-12-20-14-18-7-1-2-8-19(18)15-22(20)16-21/h1-16H
InChIKeyQWQWBZSSJDXLHJ-UHFFFAOYSA-N
MW417.90 g/mol
LogP7.32
Rot. Bonds2

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

2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine (PubChem CID 171598261) has the molecular formula C27H16ClN3 and a molecular weight of 417.90 g/mol. Its IUPAC name is 2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
PubChem CID171598261
Molecular FormulaC27H16ClN3
Molecular Weight417.90 g/mol
Exact Mass417.10
IUPAC Name2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
SMILESClc1nc(-c2ccc3cc4ccccc4cc3c2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C27H16ClN3/c28-27-30-25(29-26(31-27)24-11-5-9-17-6-3-4-10-23(17)24)21-13-12-20-14-18-7-1-2-8-19(18)15-22(20)16-21/h1-16H
InChIKeyQWQWBZSSJDXLHJ-UHFFFAOYSA-N
XLogP7.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171469861
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
2-chloro-4-[3-(2-phenanthren-1-ylphenyl)phenyl]-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509602
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine (CID 171598261) is 2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine is Clc1nc(-c2ccc3cc4ccccc4cc3c2)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine?
The InChIKey is QWQWBZSSJDXLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClN3/c28-27-30-25(29-26(31-27)24-11-5-9-17-6-3-4-10-23(17)24)21-13-12-20-14-18-7-1-2-8-19(18)15-22(20)16-21/h1-16H.
What are the key properties of 2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine?
2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine has a molecular weight of 417.90 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 171598261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).