2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine

C49H36Br3N3 — CID 165148641

IUPAC2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine
SMILESBrc1cc(-c2ccccn2)ccc1CCc1cc(CCc2ccc(-c3ccccn3)cc2Br)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2Br)c1
InChIInChI=1S/C49H36Br3N3/c50-44-30-37(47-11-3-6-24-53-47)20-18-35(44)16-14-33-27-34(15-17-36-19-21-38(31-45(36)51)48-12-4-7-25-54-48)29-40(28-33)41-9-1-2-10-42(41)43-23-22-39(32-46(43)52)49-13-5-8-26-55-49/h1-13,18-32H,14-17H2
InChIKeyJDQPMOXSQNBNGI-UHFFFAOYSA-N
MW906.56 g/mol
LogP14.06
Rot. Bonds11

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

2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine (PubChem CID 165148641) has the molecular formula C49H36Br3N3 and a molecular weight of 906.56 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine
PubChem CID165148641
Molecular FormulaC49H36Br3N3
Molecular Weight906.56 g/mol
Exact Mass903.05
IUPAC Name2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine
SMILESBrc1cc(-c2ccccn2)ccc1CCc1cc(CCc2ccc(-c3ccccn3)cc2Br)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2Br)c1
InChIInChI=1S/C49H36Br3N3/c50-44-30-37(47-11-3-6-24-53-47)20-18-35(44)16-14-33-27-34(15-17-36-19-21-38(31-45(36)51)48-12-4-7-25-54-48)29-40(28-33)41-9-1-2-10-42(41)43-23-22-39(32-46(43)52)49-13-5-8-26-55-49/h1-13,18-32H,14-17H2
InChIKeyJDQPMOXSQNBNGI-UHFFFAOYSA-N
XLogP14.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.56
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-bromobenzene-6-id-1-yl]pyridine;iridium(3+)
CID 165148640
5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine
CID 153434741
5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine
CID 153434803
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine
CID 165148204
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol
CID 165149477
2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
CID 165149243
2-(3,4-dibromophenyl)pyridine
CID 628679
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 165149037
2-[2-[3-[2-(2-isocyano-4-pyridin-2-ylphenyl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-(4-phenyl-2-pyridinyl)phenyl]phenyl]phenyl]ethyl]-5-pyridin-2-ylbenzonitrile
CID 165149669
2-(3-bromo-4-chlorophenyl)pyridine
CID 122381935

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine (CID 165148641) is 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine is Brc1cc(-c2ccccn2)ccc1CCc1cc(CCc2ccc(-c3ccccn3)cc2Br)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2Br)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine?
The InChIKey is JDQPMOXSQNBNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36Br3N3/c50-44-30-37(47-11-3-6-24-53-47)20-18-35(44)16-14-33-27-34(15-17-36-19-21-38(31-45(36)51)48-12-4-7-25-54-48)29-40(28-33)41-9-1-2-10-42(41)43-23-22-39(32-46(43)52)49-13-5-8-26-55-49/h1-13,18-32H,14-17H2.
What are the key properties of 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine?
2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine has a molecular weight of 906.56 g/mol, XLogP of 14.06, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine is sourced from PubChem (CID 165148641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).