4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine

C26H17BrN2 — CID 58028637

IUPAC4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
SMILESBrc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H17BrN2/c27-21-15-13-19(14-16-21)24-17-25(29-26(28-24)20-8-2-1-3-9-20)23-12-6-10-18-7-4-5-11-22(18)23/h1-17H
InChIKeyMMPOPAAZSFHWSZ-UHFFFAOYSA-N
MW437.34 g/mol
LogP7.39
Rot. Bonds3

About 4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine

4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine (PubChem CID 58028637) has the molecular formula C26H17BrN2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
PubChem CID58028637
Molecular FormulaC26H17BrN2
Molecular Weight437.34 g/mol
Exact Mass436.06
IUPAC Name4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
SMILESBrc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H17BrN2/c27-21-15-13-19(14-16-21)24-17-25(29-26(28-24)20-8-2-1-3-9-20)23-12-6-10-18-7-4-5-11-22(18)23/h1-17H
InChIKeyMMPOPAAZSFHWSZ-UHFFFAOYSA-N
XLogP7.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726
2-[10-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 135245605
4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
CID 130392242
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
CID 168797123
N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 58028696
4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine
CID 170025705

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine?
The IUPAC name of 4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine (CID 58028637) is 4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine is Brc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine?
The InChIKey is MMPOPAAZSFHWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN2/c27-21-15-13-19(14-16-21)24-17-25(29-26(28-24)20-8-2-1-3-9-20)23-12-6-10-18-7-4-5-11-22(18)23/h1-17H.
What are the key properties of 4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine?
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine has a molecular weight of 437.34 g/mol, XLogP of 7.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine is sourced from PubChem (CID 58028637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).