2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol

C34H23BrO2 — CID 22247166

IUPAC2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol
SMILESOC1(c2ccc3ccccc3c2)c2ccccc2C(O)(c2ccc3ccccc3c2)c2cc(Br)ccc21
InChIInChI=1S/C34H23BrO2/c35-28-17-18-31-32(21-28)34(37,27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31,36)26-15-13-22-7-1-3-9-24(22)19-26/h1-21,36-37H
InChIKeyDUUVEHCNALUEJI-UHFFFAOYSA-N
MW543.46 g/mol
LogP7.64
Rot. Bonds2

About 2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol

2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol (PubChem CID 22247166) has the molecular formula C34H23BrO2 and a molecular weight of 543.46 g/mol. Its IUPAC name is 2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol.

Molecular Properties

Compound Name2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol
PubChem CID22247166
Molecular FormulaC34H23BrO2
Molecular Weight543.46 g/mol
Exact Mass542.09
IUPAC Name2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol
SMILESOC1(c2ccc3ccccc3c2)c2ccccc2C(O)(c2ccc3ccccc3c2)c2cc(Br)ccc21
InChIInChI=1S/C34H23BrO2/c35-28-17-18-31-32(21-28)34(37,27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31,36)26-15-13-22-7-1-3-9-24(22)19-26/h1-21,36-37H
InChIKeyDUUVEHCNALUEJI-UHFFFAOYSA-N
XLogP7.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.46
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol?
The IUPAC name of 2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol (CID 22247166) is 2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol.
What is the SMILES notation for 2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol?
The canonical SMILES for 2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol is OC1(c2ccc3ccccc3c2)c2ccccc2C(O)(c2ccc3ccccc3c2)c2cc(Br)ccc21.
What is the InChIKey of 2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol?
The InChIKey is DUUVEHCNALUEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23BrO2/c35-28-17-18-31-32(21-28)34(37,27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31,36)26-15-13-22-7-1-3-9-24(22)19-26/h1-21,36-37H.
What are the key properties of 2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol?
2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol has a molecular weight of 543.46 g/mol, XLogP of 7.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol is sourced from PubChem (CID 22247166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).