5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine

C57H33Br3F3N3 — CID 140838547

IUPAC5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(F)c(Br)c5)nc4)cc(-c4ccccc4-c4ccc(-c5ccc(F)c(Br)c5)nc4)c3)cn2)cc1Br
InChIInChI=1S/C57H33Br3F3N3/c58-49-28-34(13-19-52(49)61)55-22-16-37(31-64-55)43-7-1-4-10-46(43)40-25-41(47-11-5-2-8-44(47)38-17-23-56(65-32-38)35-14-20-53(62)50(59)29-35)27-42(26-40)48-12-6-3-9-45(48)39-18-24-57(66-33-39)36-15-21-54(63)51(60)30-36/h1-33H
InChIKeyWDXOHYYSIGTLAT-UHFFFAOYSA-N
MW1056.62 g/mol
LogP17.58
Rot. Bonds9

About 5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine

5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine (PubChem CID 140838547) has the molecular formula C57H33Br3F3N3 and a molecular weight of 1056.62 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine
PubChem CID140838547
Molecular FormulaC57H33Br3F3N3
Molecular Weight1056.62 g/mol
Exact Mass1053.02
IUPAC Name5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(F)c(Br)c5)nc4)cc(-c4ccccc4-c4ccc(-c5ccc(F)c(Br)c5)nc4)c3)cn2)cc1Br
InChIInChI=1S/C57H33Br3F3N3/c58-49-28-34(13-19-52(49)61)55-22-16-37(31-64-55)43-7-1-4-10-46(43)40-25-41(47-11-5-2-8-44(47)38-17-23-56(65-32-38)35-14-20-53(62)50(59)29-35)27-42(26-40)48-12-6-3-9-45(48)39-18-24-57(66-33-39)36-15-21-54(63)51(60)30-36/h1-33H
InChIKeyWDXOHYYSIGTLAT-UHFFFAOYSA-N
XLogP17.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.62
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
16,16-Bis(3-bromophenyl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 44324358
4'-(4-Bromophenyl)-2,2':6',2''-terpyridine
CID 10762837
6-(4-Bromophenyl)-4-(4-fluorophenyl)-2,2'-bipyridine
CID 73891082
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893
2,2'-(5,5'-Difluoro-3,3'-dimethyl-[1,1'-biphenyl]-2,2'-diyl)dipyridine
CID 155908914
2-(4,4'-Di-tert-butyl-6'-(5-fluoropyridin-2-yl)-[1,1':3',1''-terphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908927
6,6',6'',6'''-([1,1':3',1'':3'',1'''-Quaterphenyl]-2,2',2'',2'''-tetrayl)tetrakis(3-fluoropyridine)
CID 155908938
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
6,6',6''-([1,1':3',1''-Terphenyl]-2,2',2''-triyl)tris(3-fluoropyridine)
CID 155908963

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine (CID 140838547) is 5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine is Fc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(F)c(Br)c5)nc4)cc(-c4ccccc4-c4ccc(-c5ccc(F)c(Br)c5)nc4)c3)cn2)cc1Br.
What is the InChIKey of 5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine?
The InChIKey is WDXOHYYSIGTLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33Br3F3N3/c58-49-28-34(13-19-52(49)61)55-22-16-37(31-64-55)43-7-1-4-10-46(43)40-25-41(47-11-5-2-8-44(47)38-17-23-56(65-32-38)35-14-20-53(62)50(59)29-35)27-42(26-40)48-12-6-3-9-45(48)39-18-24-57(66-33-39)36-15-21-54(63)51(60)30-36/h1-33H.
What are the key properties of 5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine?
5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine has a molecular weight of 1056.62 g/mol, XLogP of 17.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine is sourced from PubChem (CID 140838547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).