4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine

C32H21BrN2 — CID 146480528

IUPAC4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine
SMILESBrc1ccc2ccccc2c1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C32H21BrN2/c33-28-20-19-22-9-7-8-14-27(22)31(28)25-17-15-24(16-18-25)30-21-29(23-10-3-1-4-11-23)34-32(35-30)26-12-5-2-6-13-26/h1-21H
InChIKeyURFLFTIKWKQYBA-UHFFFAOYSA-N
MW513.44 g/mol
LogP9.06
Rot. Bonds4

About 4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine

4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 146480528) has the molecular formula C32H21BrN2 and a molecular weight of 513.44 g/mol. Its IUPAC name is 4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID146480528
Molecular FormulaC32H21BrN2
Molecular Weight513.44 g/mol
Exact Mass512.09
IUPAC Name4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine
SMILESBrc1ccc2ccccc2c1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C32H21BrN2/c33-28-20-19-22-9-7-8-14-27(22)31(28)25-17-15-24(16-18-25)30-21-29(23-10-3-1-4-11-23)34-32(35-30)26-12-5-2-6-13-26/h1-21H
InChIKeyURFLFTIKWKQYBA-UHFFFAOYSA-N
XLogP9.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.44
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine (CID 146480528) is 4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine is Brc1ccc2ccccc2c1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is URFLFTIKWKQYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN2/c33-28-20-19-22-9-7-8-14-27(22)31(28)25-17-15-24(16-18-25)30-21-29(23-10-3-1-4-11-23)34-32(35-30)26-12-5-2-6-13-26/h1-21H.
What are the key properties of 4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine?
4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 513.44 g/mol, XLogP of 9.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bromonaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 146480528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).