2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine

C87H84Br3F2N3 — CID 153224605

IUPAC2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4Br)CC(c4cc(C(C)(C)C)ccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)C3)c(Br)c2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C87H84Br3F2N3/c1-51-37-81(94-49-76(51)53-15-25-65(91)26-16-53)55-20-30-71(79(89)42-55)74-46-62(85(6,7)8)22-32-67(74)58-39-59(41-60(40-58)73-45-61(84(3,4)5)24-34-69(73)70-29-19-57(44-78(70)88)83-48-64(35-36-93-83)87(12,13)14)68-33-23-63(86(9,10)11)47-75(68)72-31-21-56(43-80(72)90)82-38-52(2)77(50-95-82)54-17-27-66(92)28-18-54/h15-38,42-50,58-60H,39-41H2,1-14H3
InChIKeySOCLLVBAGNGHMX-UHFFFAOYSA-N
MW1449.36 g/mol
LogP26.42
Rot. Bonds11

About 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine

2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine (PubChem CID 153224605) has the molecular formula C87H84Br3F2N3 and a molecular weight of 1449.36 g/mol. Its IUPAC name is 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
PubChem CID153224605
Molecular FormulaC87H84Br3F2N3
Molecular Weight1449.36 g/mol
Exact Mass1445.42
IUPAC Name2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4Br)CC(c4cc(C(C)(C)C)ccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)C3)c(Br)c2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C87H84Br3F2N3/c1-51-37-81(94-49-76(51)53-15-25-65(91)26-16-53)55-20-30-71(79(89)42-55)74-46-62(85(6,7)8)22-32-67(74)58-39-59(41-60(40-58)73-45-61(84(3,4)5)24-34-69(73)70-29-19-57(44-78(70)88)83-48-64(35-36-93-83)87(12,13)14)68-33-23-63(86(9,10)11)47-75(68)72-31-21-56(43-80(72)90)82-38-52(2)77(50-95-82)54-17-27-66(92)28-18-54/h15-38,42-50,58-60H,39-41H2,1-14H3
InChIKeySOCLLVBAGNGHMX-UHFFFAOYSA-N
XLogP26.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001449.36
LogP ≤ 526.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The IUPAC name of 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine (CID 153224605) is 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine is Cc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4Br)CC(c4cc(C(C)(C)C)ccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)C3)c(Br)c2)ncc1-c1ccc(F)cc1.
What is the InChIKey of 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The InChIKey is SOCLLVBAGNGHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H84Br3F2N3/c1-51-37-81(94-49-76(51)53-15-25-65(91)26-16-53)55-20-30-71(79(89)42-55)74-46-62(85(6,7)8)22-32-67(74)58-39-59(41-60(40-58)73-45-61(84(3,4)5)24-34-69(73)70-29-19-57(44-78(70)88)83-48-64(35-36-93-83)87(12,13)14)68-33-23-63(86(9,10)11)47-75(68)72-31-21-56(43-80(72)90)82-38-52(2)77(50-95-82)54-17-27-66(92)28-18-54/h15-38,42-50,58-60H,39-41H2,1-14H3.
What are the key properties of 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine has a molecular weight of 1449.36 g/mol, XLogP of 26.42, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-[2-[3-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-5-tert-butylphenyl]-5-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 153224605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).