2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C29H17Br2N3 — CID 58382631

IUPAC2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C29H17Br2N3/c30-25-15-24(16-26(31)17-25)29-33-27(22-11-9-18-5-1-3-7-20(18)13-22)32-28(34-29)23-12-10-19-6-2-4-8-21(19)14-23/h1-17H
InChIKeyCFHGXIFTEJBEKP-UHFFFAOYSA-N
MW567.28 g/mol
LogP8.70
Rot. Bonds3

About 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 58382631) has the molecular formula C29H17Br2N3 and a molecular weight of 567.28 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID58382631
Molecular FormulaC29H17Br2N3
Molecular Weight567.28 g/mol
Exact Mass564.98
IUPAC Name2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C29H17Br2N3/c30-25-15-24(16-26(31)17-25)29-33-27(22-11-9-18-5-1-3-7-20(18)13-22)32-28(34-29)23-12-10-19-6-2-4-8-21(19)14-23/h1-17H
InChIKeyCFHGXIFTEJBEKP-UHFFFAOYSA-N
XLogP8.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.28
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 58382631) is 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is Brc1cc(Br)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is CFHGXIFTEJBEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Br2N3/c30-25-15-24(16-26(31)17-25)29-33-27(22-11-9-18-5-1-3-7-20(18)13-22)32-28(34-29)23-12-10-19-6-2-4-8-21(19)14-23/h1-17H.
What are the key properties of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 567.28 g/mol, XLogP of 8.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 58382631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).