5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine

C56H36Br2N4 — CID 153434803

IUPAC5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine
SMILESBrc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2Br)c1
InChIInChI=1S/C56H36Br2N4/c57-52-33-38(54-22-10-12-28-59-54)24-26-50(52)48-20-8-6-17-45(48)41-30-40(44-16-4-5-19-47(44)43-35-61-56(62-36-43)37-14-2-1-3-15-37)31-42(32-41)46-18-7-9-21-49(46)51-27-25-39(34-53(51)58)55-23-11-13-29-60-55/h1-36H
InChIKeyNDIXXZGFAADMHT-UHFFFAOYSA-N
MW924.74 g/mol
LogP15.79
Rot. Bonds9

About 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine

5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine (PubChem CID 153434803) has the molecular formula C56H36Br2N4 and a molecular weight of 924.74 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine
PubChem CID153434803
Molecular FormulaC56H36Br2N4
Molecular Weight924.74 g/mol
Exact Mass922.13
IUPAC Name5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine
SMILESBrc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2Br)c1
InChIInChI=1S/C56H36Br2N4/c57-52-33-38(54-22-10-12-28-59-54)24-26-50(52)48-20-8-6-17-45(48)41-30-40(44-16-4-5-19-47(44)43-35-61-56(62-36-43)37-14-2-1-3-15-37)31-42(32-41)46-18-7-9-21-49(46)51-27-25-39(34-53(51)58)55-23-11-13-29-60-55/h1-36H
InChIKeyNDIXXZGFAADMHT-UHFFFAOYSA-N
XLogP15.79
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.74
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine
CID 153434741
2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine
CID 140838789
2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine
CID 165148641
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838695
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 153458373
5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
CID 153448968
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
CID 140968105

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine?
The IUPAC name of 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine (CID 153434803) is 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine?
The canonical SMILES for 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine is Brc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2Br)c1.
What is the InChIKey of 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine?
The InChIKey is NDIXXZGFAADMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36Br2N4/c57-52-33-38(54-22-10-12-28-59-54)24-26-50(52)48-20-8-6-17-45(48)41-30-40(44-16-4-5-19-47(44)43-35-61-56(62-36-43)37-14-2-1-3-15-37)31-42(32-41)46-18-7-9-21-49(46)51-27-25-39(34-53(51)58)55-23-11-13-29-60-55/h1-36H.
What are the key properties of 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine?
5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine has a molecular weight of 924.74 g/mol, XLogP of 15.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 153434803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).