2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine

C30H18Br2N2 — CID 67984258

IUPAC2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C30H18Br2N2/c31-26-15-25(16-27(32)17-26)30-33-28(23-11-9-19-5-1-3-7-21(19)13-23)18-29(34-30)24-12-10-20-6-2-4-8-22(20)14-24/h1-18H
InChIKeyGPGLAEPQZIYPAC-UHFFFAOYSA-N
MW566.30 g/mol
LogP9.31
Rot. Bonds3

About 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine

2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine (PubChem CID 67984258) has the molecular formula C30H18Br2N2 and a molecular weight of 566.30 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine
PubChem CID67984258
Molecular FormulaC30H18Br2N2
Molecular Weight566.30 g/mol
Exact Mass563.98
IUPAC Name2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C30H18Br2N2/c31-26-15-25(16-27(32)17-26)30-33-28(23-11-9-19-5-1-3-7-21(19)13-23)18-29(34-30)24-12-10-20-6-2-4-8-22(20)14-24/h1-18H
InChIKeyGPGLAEPQZIYPAC-UHFFFAOYSA-N
XLogP9.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.30
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine?
The IUPAC name of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine (CID 67984258) is 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine?
The canonical SMILES for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine is Brc1cc(Br)cc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine?
The InChIKey is GPGLAEPQZIYPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Br2N2/c31-26-15-25(16-27(32)17-26)30-33-28(23-11-9-19-5-1-3-7-21(19)13-23)18-29(34-30)24-12-10-20-6-2-4-8-22(20)14-24/h1-18H.
What are the key properties of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine?
2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine has a molecular weight of 566.30 g/mol, XLogP of 9.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-2-ylpyrimidine is sourced from PubChem (CID 67984258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).