2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine

C52H50Br2N2 — CID 147125965

IUPAC2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine
SMILESCc1c(C)c(-c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccn3)cc2Br)c(C)c(C)c1-c1ccccc1-c1ccc(-c2cc(C(C)(C)C)ccn2)cc1Br
InChIInChI=1S/C52H50Br2N2/c1-31-32(2)50(44-18-14-12-16-40(44)42-22-20-36(28-46(42)54)48-30-38(24-26-56-48)52(8,9)10)34(4)33(3)49(31)43-17-13-11-15-39(43)41-21-19-35(27-45(41)53)47-29-37(23-25-55-47)51(5,6)7/h11-30H,1-10H3
InChIKeyNPFDEGQAKFLIOY-UHFFFAOYSA-N
MW862.79 g/mol
LogP15.83
Rot. Bonds6

About 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine

2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine (PubChem CID 147125965) has the molecular formula C52H50Br2N2 and a molecular weight of 862.79 g/mol. Its IUPAC name is 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine.

Molecular Properties

Compound Name2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine
PubChem CID147125965
Molecular FormulaC52H50Br2N2
Molecular Weight862.79 g/mol
Exact Mass860.23
IUPAC Name2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine
SMILESCc1c(C)c(-c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccn3)cc2Br)c(C)c(C)c1-c1ccccc1-c1ccc(-c2cc(C(C)(C)C)ccn2)cc1Br
InChIInChI=1S/C52H50Br2N2/c1-31-32(2)50(44-18-14-12-16-40(44)42-22-20-36(28-46(42)54)48-30-38(24-26-56-48)52(8,9)10)34(4)33(3)49(31)43-17-13-11-15-39(43)41-21-19-35(27-45(41)53)47-29-37(23-25-55-47)51(5,6)7/h11-30H,1-10H3
InChIKeyNPFDEGQAKFLIOY-UHFFFAOYSA-N
XLogP15.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.79
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine with MolForge

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Related Compounds

2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-phenylpyridine
CID 140838831
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
CID 140838950
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]-3-bromophenyl]-4-tert-butylpyridine
CID 153449021
4-(4-tert-butyl-2-pyridinyl)-19-methyl-8-azatetracyclo[13.3.1.02,7.09,14]nonadeca-1(18),2(7),3,5,9,11,13,15(19),16-nonaene
CID 168766397
2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine
CID 153295059
4-tert-butyl-2-[4-[2-[4-[(3R,4S,5S,6R)-6-fluoro-2,3,4,5-tetramethylheptyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]pyridine
CID 174004107
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
CID 171751604
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134226053
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine
CID 153439025
4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine
CID 155643269

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine?
The IUPAC name of 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine (CID 147125965) is 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine.
What is the SMILES notation for 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine?
The canonical SMILES for 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine is Cc1c(C)c(-c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccn3)cc2Br)c(C)c(C)c1-c1ccccc1-c1ccc(-c2cc(C(C)(C)C)ccn2)cc1Br.
What is the InChIKey of 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine?
The InChIKey is NPFDEGQAKFLIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50Br2N2/c1-31-32(2)50(44-18-14-12-16-40(44)42-22-20-36(28-46(42)54)48-30-38(24-26-56-48)52(8,9)10)34(4)33(3)49(31)43-17-13-11-15-39(43)41-21-19-35(27-45(41)53)47-29-37(23-25-55-47)51(5,6)7/h11-30H,1-10H3.
What are the key properties of 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine?
2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine has a molecular weight of 862.79 g/mol, XLogP of 15.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine is sourced from PubChem (CID 147125965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).