4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine

C30H19BrN2 — CID 130452830

IUPAC4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
SMILESBrc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C30H19BrN2/c31-27-15-13-22(14-16-27)28-19-29(25-11-9-20-5-1-3-7-23(20)17-25)33-30(32-28)26-12-10-21-6-2-4-8-24(21)18-26/h1-19H
InChIKeyZTJRUQKTJMEYHL-UHFFFAOYSA-N
MW487.40 g/mol
LogP8.55
Rot. Bonds3

About 4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine

4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine (PubChem CID 130452830) has the molecular formula C30H19BrN2 and a molecular weight of 487.40 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
PubChem CID130452830
Molecular FormulaC30H19BrN2
Molecular Weight487.40 g/mol
Exact Mass486.07
IUPAC Name4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
SMILESBrc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C30H19BrN2/c31-27-15-13-22(14-16-27)28-19-29(25-11-9-20-5-1-3-7-23(20)17-25)33-30(32-28)26-12-10-21-6-2-4-8-24(21)18-26/h1-19H
InChIKeyZTJRUQKTJMEYHL-UHFFFAOYSA-N
XLogP8.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 122548824
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 118490750
4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 141478206
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]sulfanylphenyl]-2,6-dinaphthalen-2-ylpyrimidine
CID 140904971
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenylpyridine
CID 141475623
3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine?
The IUPAC name of 4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine (CID 130452830) is 4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine is Brc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine?
The InChIKey is ZTJRUQKTJMEYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrN2/c31-27-15-13-22(14-16-27)28-19-29(25-11-9-20-5-1-3-7-23(20)17-25)33-30(32-28)26-12-10-21-6-2-4-8-24(21)18-26/h1-19H.
What are the key properties of 4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine?
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine has a molecular weight of 487.40 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine is sourced from PubChem (CID 130452830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).