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

C64H41Br3FN3 — CID 140838675

IUPAC2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4Br)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4Br)c3)c(Br)c2)ncc1-c1cccc(F)c1
InChIInChI=1S/C64H41Br3FN3/c1-40-31-64(71-39-58(40)41-13-12-14-48(68)35-41)44-25-28-57(61(67)38-44)54-20-7-4-17-51(54)47-33-45(49-15-2-5-18-52(49)55-26-23-42(36-59(55)65)62-21-8-10-29-69-62)32-46(34-47)50-16-3-6-19-53(50)56-27-24-43(37-60(56)66)63-22-9-11-30-70-63/h2-39H,1H3
InChIKeyGBOZCDLHHDJLKK-UHFFFAOYSA-N
MW1110.76 g/mol
LogP19.28
Rot. Bonds10

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

2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine (PubChem CID 140838675) has the molecular formula C64H41Br3FN3 and a molecular weight of 1110.76 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine
PubChem CID140838675
Molecular FormulaC64H41Br3FN3
Molecular Weight1110.76 g/mol
Exact Mass1107.08
IUPAC Name2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4Br)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4Br)c3)c(Br)c2)ncc1-c1cccc(F)c1
InChIInChI=1S/C64H41Br3FN3/c1-40-31-64(71-39-58(40)41-13-12-14-48(68)35-41)44-25-28-57(61(67)38-44)54-20-7-4-17-51(54)47-33-45(49-15-2-5-18-52(49)55-26-23-42(36-59(55)65)62-21-8-10-29-69-62)32-46(34-47)50-16-3-6-19-53(50)56-27-24-43(37-60(56)66)63-22-9-11-30-70-63/h2-39H,1H3
InChIKeyGBOZCDLHHDJLKK-UHFFFAOYSA-N
XLogP19.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.76
LogP ≤ 519.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(10-Bromoanthracen-9-yl)pyridine
CID 138593628
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893
3-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)isoquinoline
CID 155908903
2-(4-(Tert-butyl)-2-(5-fluoropyridin-2-yl)-[1,1':4',1''-terphenyl]-2'-yl)-3-methylpyridine
CID 155908918
2-(4,4'-Di-tert-butyl-6'-(5-fluoropyridin-2-yl)-[1,1':3',1''-terphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908927
2-(2'-(5-Fluoropyridin-2-yl)-2''-(pyridin-2-yl)-[1,1':3',1''-terphenyl]-2-yl)-3-methylpyridine
CID 155908953
2-(4-Bromo-2'-(5-fluoropyridin-2-yl)-4'-(trimethylsilyl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908956
2-(4-Bromo-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908957
2,2'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoro-4-methylpyridine)
CID 155908959
6,6',6''-([1,1':3',1''-Terphenyl]-2,2',2''-triyl)tris(3-fluoropyridine)
CID 155908963
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908967
4'-(3,5-Dibromophenyl)-2,2':6',2"-terpyridine
CID 15436259

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine (CID 140838675) is 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4Br)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4Br)c3)c(Br)c2)ncc1-c1cccc(F)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine?
The InChIKey is GBOZCDLHHDJLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41Br3FN3/c1-40-31-64(71-39-58(40)41-13-12-14-48(68)35-41)44-25-28-57(61(67)38-44)54-20-7-4-17-51(54)47-33-45(49-15-2-5-18-52(49)55-26-23-42(36-59(55)65)62-21-8-10-29-69-62)32-46(34-47)50-16-3-6-19-53(50)56-27-24-43(37-60(56)66)63-22-9-11-30-70-63/h2-39H,1H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine?
2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine has a molecular weight of 1110.76 g/mol, XLogP of 19.28, 10 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)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 140838675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).