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

C29H17Br2N3 — CID 59510707

IUPAC2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C29H17Br2N3/c30-21-15-20(16-22(31)17-21)27-32-28(25-13-5-9-18-7-1-3-11-23(18)25)34-29(33-27)26-14-6-10-19-8-2-4-12-24(19)26/h1-17H
InChIKeyLBGROGPNCRIBIM-UHFFFAOYSA-N
MW567.28 g/mol
LogP8.70
Rot. Bonds3

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

2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine (PubChem CID 59510707) 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-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
PubChem CID59510707
Molecular FormulaC29H17Br2N3
Molecular Weight567.28 g/mol
Exact Mass564.98
IUPAC Name2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C29H17Br2N3/c30-21-15-20(16-22(31)17-21)27-32-28(25-13-5-9-18-7-1-3-11-23(18)25)34-29(33-27)26-14-6-10-19-8-2-4-12-24(19)26/h1-17H
InChIKeyLBGROGPNCRIBIM-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine (CID 59510707) is 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine is Brc1cc(Br)cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The InChIKey is LBGROGPNCRIBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Br2N3/c30-21-15-20(16-22(31)17-21)27-32-28(25-13-5-9-18-7-1-3-11-23(18)25)34-29(33-27)26-14-6-10-19-8-2-4-12-24(19)26/h1-17H.
What are the key properties of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-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-1-yl-1,3,5-triazine is sourced from PubChem (CID 59510707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).