9,10-bis(4-bromophenyl)anthracene-9,10-diol

C26H18Br2O2 — CID 632658

IUPAC9,10-bis(4-bromophenyl)anthracene-9,10-diol
SMILESOC1(c2ccc(Br)cc2)c2ccccc2C(O)(c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C26H18Br2O2/c27-19-13-9-17(10-14-19)25(29)21-5-1-2-6-22(21)26(30,18-11-15-20(28)16-12-18)24-8-4-3-7-23(24)25/h1-16,29-30H
InChIKeyAQWVAHZMUGOYEB-UHFFFAOYSA-N
MW522.24 g/mol
LogP6.09
Rot. Bonds2

About 9,10-bis(4-bromophenyl)anthracene-9,10-diol

9,10-bis(4-bromophenyl)anthracene-9,10-diol (PubChem CID 632658) has the molecular formula C26H18Br2O2 and a molecular weight of 522.24 g/mol. Its IUPAC name is 9,10-bis(4-bromophenyl)anthracene-9,10-diol.

Molecular Properties

Compound Name9,10-bis(4-bromophenyl)anthracene-9,10-diol
PubChem CID632658
Molecular FormulaC26H18Br2O2
Molecular Weight522.24 g/mol
Exact Mass519.97
IUPAC Name9,10-bis(4-bromophenyl)anthracene-9,10-diol
SMILESOC1(c2ccc(Br)cc2)c2ccccc2C(O)(c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C26H18Br2O2/c27-19-13-9-17(10-14-19)25(29)21-5-1-2-6-22(21)26(30,18-11-15-20(28)16-12-18)24-8-4-3-7-23(24)25/h1-16,29-30H
InChIKeyAQWVAHZMUGOYEB-UHFFFAOYSA-N
XLogP6.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.24
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-bromophenyl)anthracene-9,10-diol?
The IUPAC name of 9,10-bis(4-bromophenyl)anthracene-9,10-diol (CID 632658) is 9,10-bis(4-bromophenyl)anthracene-9,10-diol.
What is the SMILES notation for 9,10-bis(4-bromophenyl)anthracene-9,10-diol?
The canonical SMILES for 9,10-bis(4-bromophenyl)anthracene-9,10-diol is OC1(c2ccc(Br)cc2)c2ccccc2C(O)(c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 9,10-bis(4-bromophenyl)anthracene-9,10-diol?
The InChIKey is AQWVAHZMUGOYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Br2O2/c27-19-13-9-17(10-14-19)25(29)21-5-1-2-6-22(21)26(30,18-11-15-20(28)16-12-18)24-8-4-3-7-23(24)25/h1-16,29-30H.
What are the key properties of 9,10-bis(4-bromophenyl)anthracene-9,10-diol?
9,10-bis(4-bromophenyl)anthracene-9,10-diol has a molecular weight of 522.24 g/mol, XLogP of 6.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-bromophenyl)anthracene-9,10-diol is sourced from PubChem (CID 632658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).