2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol

C30H20Br4O2 — CID 176584593

IUPAC2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol
SMILESCC(c1ccc(-c2cccc3ccccc23)cc1)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C30H20Br4O2/c1-30(20-13-24(31)28(35)25(32)14-20,21-15-26(33)29(36)27(34)16-21)19-11-9-18(10-12-19)23-8-4-6-17-5-2-3-7-22(17)23/h2-16,35-36H,1H3
InChIKeyXCZDXIMSUGTJGU-UHFFFAOYSA-N
MW732.10 g/mol
LogP10.32
Rot. Bonds4

About 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol

2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol (PubChem CID 176584593) has the molecular formula C30H20Br4O2 and a molecular weight of 732.10 g/mol. Its IUPAC name is 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol
PubChem CID176584593
Molecular FormulaC30H20Br4O2
Molecular Weight732.10 g/mol
Exact Mass727.82
IUPAC Name2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol
SMILESCC(c1ccc(-c2cccc3ccccc23)cc1)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C30H20Br4O2/c1-30(20-13-24(31)28(35)25(32)14-20,21-15-26(33)29(36)27(34)16-21)19-11-9-18(10-12-19)23-8-4-6-17-5-2-3-7-22(17)23/h2-16,35-36H,1H3
InChIKeyXCZDXIMSUGTJGU-UHFFFAOYSA-N
XLogP10.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.10
LogP ≤ 510.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol
CID 139838348
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4,6-diphenylpyridine
CID 121315369
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol
CID 176584463
2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid
CID 177379160
2-naphthalen-1-ylanthracene
CID 2748705
2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(3-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,3,5-triazine
CID 158095916
4-naphthalen-1-ylbenzoic acid
CID 2760151

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol?
The IUPAC name of 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol (CID 176584593) is 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol is CC(c1ccc(-c2cccc3ccccc23)cc1)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol?
The InChIKey is XCZDXIMSUGTJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Br4O2/c1-30(20-13-24(31)28(35)25(32)14-20,21-15-26(33)29(36)27(34)16-21)19-11-9-18(10-12-19)23-8-4-6-17-5-2-3-7-22(17)23/h2-16,35-36H,1H3.
What are the key properties of 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol?
2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol has a molecular weight of 732.10 g/mol, XLogP of 10.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol is sourced from PubChem (CID 176584593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).