4,6-bis(3-bromophenyl)-2-phenylpyrimidine

C22H14Br2N2 — CID 71270022

IUPAC4,6-bis(3-bromophenyl)-2-phenylpyrimidine
SMILESBrc1cccc(-c2cc(-c3cccc(Br)c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H14Br2N2/c23-18-10-4-8-16(12-18)20-14-21(17-9-5-11-19(24)13-17)26-22(25-20)15-6-2-1-3-7-15/h1-14H
InChIKeyNBYRTCOHIKPHFV-UHFFFAOYSA-N
MW466.18 g/mol
LogP7.00
Rot. Bonds3

About 4,6-bis(3-bromophenyl)-2-phenylpyrimidine

4,6-bis(3-bromophenyl)-2-phenylpyrimidine (PubChem CID 71270022) has the molecular formula C22H14Br2N2 and a molecular weight of 466.18 g/mol. Its IUPAC name is 4,6-bis(3-bromophenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4,6-bis(3-bromophenyl)-2-phenylpyrimidine
PubChem CID71270022
Molecular FormulaC22H14Br2N2
Molecular Weight466.18 g/mol
Exact Mass463.95
IUPAC Name4,6-bis(3-bromophenyl)-2-phenylpyrimidine
SMILESBrc1cccc(-c2cc(-c3cccc(Br)c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H14Br2N2/c23-18-10-4-8-16(12-18)20-14-21(17-9-5-11-19(24)13-17)26-22(25-20)15-6-2-1-3-7-15/h1-14H
InChIKeyNBYRTCOHIKPHFV-UHFFFAOYSA-N
XLogP7.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.18
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
2,6-bis(3-bromophenyl)-4-phenylpyridine
CID 59428691
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine
CID 118259484
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 122548824
4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 58943669
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-bromophenyl)-2-phenylpyrimidine?
The IUPAC name of 4,6-bis(3-bromophenyl)-2-phenylpyrimidine (CID 71270022) is 4,6-bis(3-bromophenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4,6-bis(3-bromophenyl)-2-phenylpyrimidine?
The canonical SMILES for 4,6-bis(3-bromophenyl)-2-phenylpyrimidine is Brc1cccc(-c2cc(-c3cccc(Br)c3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4,6-bis(3-bromophenyl)-2-phenylpyrimidine?
The InChIKey is NBYRTCOHIKPHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2N2/c23-18-10-4-8-16(12-18)20-14-21(17-9-5-11-19(24)13-17)26-22(25-20)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 4,6-bis(3-bromophenyl)-2-phenylpyrimidine?
4,6-bis(3-bromophenyl)-2-phenylpyrimidine has a molecular weight of 466.18 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-bromophenyl)-2-phenylpyrimidine is sourced from PubChem (CID 71270022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).