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

C56H36Br2N4 — CID 153434741

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

5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine (PubChem CID 153434741) 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-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine
PubChem CID153434741
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-pyridin-2-ylpyridine
SMILESBrc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ccccn3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2Br)c1
InChIInChI=1S/C56H36Br2N4/c57-51-34-37(53-19-7-10-28-59-53)22-25-49(51)47-17-5-3-15-45(47)41-31-40(44-14-2-1-13-43(44)39-24-27-56(62-36-39)55-21-9-12-30-61-55)32-42(33-41)46-16-4-6-18-48(46)50-26-23-38(35-52(50)58)54-20-8-11-29-60-54/h1-36H
InChIKeyRDVXDQHKWIGHOJ-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

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Related Compounds

5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine
CID 153434803
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
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[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-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
CID 166806244
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
CID 140838837
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838695
2-(3,4-dibromophenyl)pyridine
CID 628679
2-(3-bromo-4-chlorophenyl)pyridine
CID 122381935
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 140838956

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-pyridin-2-ylpyridine?
The IUPAC name of 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine (CID 153434741) is 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine is Brc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ccccn3)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-pyridin-2-ylpyridine?
The InChIKey is RDVXDQHKWIGHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36Br2N4/c57-51-34-37(53-19-7-10-28-59-53)22-25-49(51)47-17-5-3-15-45(47)41-31-40(44-14-2-1-13-43(44)39-24-27-56(62-36-39)55-21-9-12-30-61-55)32-42(33-41)46-16-4-6-18-48(46)50-26-23-38(35-52(50)58)54-20-8-11-29-60-54/h1-36H.
What are the key properties of 5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine?
5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine 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-pyridin-2-ylpyridine is sourced from PubChem (CID 153434741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).