2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine

C72H57Br3FN3 — CID 140838813

IUPAC2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)c3)c(Br)c2)ncc1-c1cccc(F)c1
InChIInChI=1S/C72H57Br3FN3/c1-44-33-68(79-43-64(44)45-15-14-16-54(76)37-45)46-23-26-61(65(73)38-46)58-20-11-8-17-55(58)49-34-50(56-18-9-12-21-59(56)62-27-24-47(39-66(62)74)69-41-52(29-31-77-69)71(2,3)4)36-51(35-49)57-19-10-13-22-60(57)63-28-25-48(40-67(63)75)70-42-53(30-32-78-70)72(5,6)7/h8-43H,1-7H3
InChIKeyWWCPKNREZQVORY-UHFFFAOYSA-N
MW1222.98 g/mol
LogP21.87
Rot. Bonds10

About 2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine

2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine (PubChem CID 140838813) has the molecular formula C72H57Br3FN3 and a molecular weight of 1222.98 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine
PubChem CID140838813
Molecular FormulaC72H57Br3FN3
Molecular Weight1222.98 g/mol
Exact Mass1219.21
IUPAC Name2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)c3)c(Br)c2)ncc1-c1cccc(F)c1
InChIInChI=1S/C72H57Br3FN3/c1-44-33-68(79-43-64(44)45-15-14-16-54(76)37-45)46-23-26-61(65(73)38-46)58-20-11-8-17-55(58)49-34-50(56-18-9-12-21-59(56)62-27-24-47(39-66(62)74)69-41-52(29-31-77-69)71(2,3)4)36-51(35-49)57-19-10-13-22-60(57)63-28-25-48(40-67(63)75)70-42-53(30-32-78-70)72(5,6)7/h8-43H,1-7H3
InChIKeyWWCPKNREZQVORY-UHFFFAOYSA-N
XLogP21.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001222.98
LogP ≤ 521.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine with MolForge

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Related Compounds

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
(1R,8S,10S)-3-bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-(quinolin-4-ylmethyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 118718011
2-(4'-(Tert-butyl)-2'-(5-fluoropyridin-2-yl)-4-vinyl-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908892
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893
2-(4-(Tert-butyl)-5'-fluoro-3'-methyl-2'-(pyridin-2-yl)-[1,1'-biphenyl]-2-yl)-5-fluoropyridine
CID 155908899
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoropyridine
CID 155908900
3-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)isoquinoline
CID 155908903
2-(4,4'-Di-tert-butyl-2'-(5-(trifluoromethyl)pyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908906
2-(4,4'-Di-tert-butyl-2'-(pyridin-2-yl)-[1,1'-biphenyl]-2-yl)-5-fluoropyridine
CID 155908916
2-(4-(Tert-butyl)-2-(5-fluoropyridin-2-yl)-[1,1':4',1''-terphenyl]-2'-yl)-3-methylpyridine
CID 155908918
6,6'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908921
2-(4,4'-Di-tert-butyl-2'-(3,5-difluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908922

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine (CID 140838813) is 2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]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-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)c3)c(Br)c2)ncc1-c1cccc(F)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine?
The InChIKey is WWCPKNREZQVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H57Br3FN3/c1-44-33-68(79-43-64(44)45-15-14-16-54(76)37-45)46-23-26-61(65(73)38-46)58-20-11-8-17-55(58)49-34-50(56-18-9-12-21-59(56)62-27-24-47(39-66(62)74)69-41-52(29-31-77-69)71(2,3)4)36-51(35-49)57-19-10-13-22-60(57)63-28-25-48(40-67(63)75)70-42-53(30-32-78-70)72(5,6)7/h8-43H,1-7H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine?
2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine has a molecular weight of 1222.98 g/mol, XLogP of 21.87, 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-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 140838813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).