2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol

C31H23Br2NO2 — CID 154622798

IUPAC2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(Br)c3O)n2)c1
InChIInChI=1S/C31H23Br2NO2/c1-18-14-24(30(35)26(32)16-18)20-8-3-5-10-22(20)28-12-7-13-29(34-28)23-11-6-4-9-21(23)25-15-19(2)17-27(33)31(25)36/h3-17,35-36H,1-2H3
InChIKeyHCVIFRHIEMMPDY-UHFFFAOYSA-N
MW601.34 g/mol
LogP9.30
Rot. Bonds4

About 2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol

2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol (PubChem CID 154622798) has the molecular formula C31H23Br2NO2 and a molecular weight of 601.34 g/mol. Its IUPAC name is 2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol.

Molecular Properties

Compound Name2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol
PubChem CID154622798
Molecular FormulaC31H23Br2NO2
Molecular Weight601.34 g/mol
Exact Mass599.01
IUPAC Name2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(Br)c3O)n2)c1
InChIInChI=1S/C31H23Br2NO2/c1-18-14-24(30(35)26(32)16-18)20-8-3-5-10-22(20)28-12-7-13-29(34-28)23-11-6-4-9-21(23)25-15-19(2)17-27(33)31(25)36/h3-17,35-36H,1-2H3
InChIKeyHCVIFRHIEMMPDY-UHFFFAOYSA-N
XLogP9.30
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.34
LogP ≤ 59.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol?
The IUPAC name of 2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol (CID 154622798) is 2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol.
What is the SMILES notation for 2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol?
The canonical SMILES for 2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol is Cc1cc(Br)c(O)c(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(Br)c3O)n2)c1.
What is the InChIKey of 2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol?
The InChIKey is HCVIFRHIEMMPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23Br2NO2/c1-18-14-24(30(35)26(32)16-18)20-8-3-5-10-22(20)28-12-7-13-29(34-28)23-11-6-4-9-21(23)25-15-19(2)17-27(33)31(25)36/h3-17,35-36H,1-2H3.
What are the key properties of 2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol?
2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol has a molecular weight of 601.34 g/mol, XLogP of 9.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol is sourced from PubChem (CID 154622798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).