9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol

C26H17Br2ClO2 — CID 58251733

IUPAC9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol
SMILESOC1(c2ccccc2Br)c2ccccc2C(O)(c2ccccc2Br)c2cc(Cl)ccc21
InChIInChI=1S/C26H17Br2ClO2/c27-23-11-5-3-9-20(23)25(30)17-7-1-2-8-18(17)26(31,21-10-4-6-12-24(21)28)22-15-16(29)13-14-19(22)25/h1-15,30-31H
InChIKeyFKKYBZOZCJWHPM-UHFFFAOYSA-N
MW556.68 g/mol
LogP6.75
Rot. Bonds2

About 9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol

9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol (PubChem CID 58251733) has the molecular formula C26H17Br2ClO2 and a molecular weight of 556.68 g/mol. Its IUPAC name is 9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol.

Molecular Properties

Compound Name9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol
PubChem CID58251733
Molecular FormulaC26H17Br2ClO2
Molecular Weight556.68 g/mol
Exact Mass553.93
IUPAC Name9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol
SMILESOC1(c2ccccc2Br)c2ccccc2C(O)(c2ccccc2Br)c2cc(Cl)ccc21
InChIInChI=1S/C26H17Br2ClO2/c27-23-11-5-3-9-20(23)25(30)17-7-1-2-8-18(17)26(31,21-10-4-6-12-24(21)28)22-15-16(29)13-14-19(22)25/h1-15,30-31H
InChIKeyFKKYBZOZCJWHPM-UHFFFAOYSA-N
XLogP6.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.68
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol?
The IUPAC name of 9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol (CID 58251733) is 9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol.
What is the SMILES notation for 9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol?
The canonical SMILES for 9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol is OC1(c2ccccc2Br)c2ccccc2C(O)(c2ccccc2Br)c2cc(Cl)ccc21.
What is the InChIKey of 9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol?
The InChIKey is FKKYBZOZCJWHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Br2ClO2/c27-23-11-5-3-9-20(23)25(30)17-7-1-2-8-18(17)26(31,21-10-4-6-12-24(21)28)22-15-16(29)13-14-19(22)25/h1-15,30-31H.
What are the key properties of 9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol?
9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol has a molecular weight of 556.68 g/mol, XLogP of 6.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol is sourced from PubChem (CID 58251733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).