4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine

C34H20Br2N2 — CID 118259484

IUPAC4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine
SMILESBrc1ccc(-c2nc(-c3cccc(Br)c3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C34H20Br2N2/c35-24-15-12-21(13-16-24)34-37-32(22-6-5-7-25(36)18-22)20-33(38-34)23-14-17-30-28-10-2-1-8-26(28)27-9-3-4-11-29(27)31(30)19-23/h1-20H
InChIKeyYPYQJUPVESKDQP-UHFFFAOYSA-N
MW616.36 g/mol
LogP10.46
Rot. Bonds3

About 4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine

4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine (PubChem CID 118259484) has the molecular formula C34H20Br2N2 and a molecular weight of 616.36 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine
PubChem CID118259484
Molecular FormulaC34H20Br2N2
Molecular Weight616.36 g/mol
Exact Mass614.00
IUPAC Name4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine
SMILESBrc1ccc(-c2nc(-c3cccc(Br)c3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C34H20Br2N2/c35-24-15-12-21(13-16-24)34-37-32(22-6-5-7-25(36)18-22)20-33(38-34)23-14-17-30-28-10-2-1-8-26(28)27-9-3-4-11-29(27)31(30)19-23/h1-20H
InChIKeyYPYQJUPVESKDQP-UHFFFAOYSA-N
XLogP10.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.36
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
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
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
4-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 130267857
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine?
The IUPAC name of 4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine (CID 118259484) is 4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine is Brc1ccc(-c2nc(-c3cccc(Br)c3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine?
The InChIKey is YPYQJUPVESKDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20Br2N2/c35-24-15-12-21(13-16-24)34-37-32(22-6-5-7-25(36)18-22)20-33(38-34)23-14-17-30-28-10-2-1-8-26(28)27-9-3-4-11-29(27)31(30)19-23/h1-20H.
What are the key properties of 4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine?
4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine has a molecular weight of 616.36 g/mol, XLogP of 10.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine is sourced from PubChem (CID 118259484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).