2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol

C28H23BrO2 — CID 122205730

IUPAC2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol
SMILESCc1ccc(C2(O)c3ccccc3C(O)(c3ccc(C)cc3)c3cc(Br)ccc32)cc1
InChIInChI=1S/C28H23BrO2/c1-18-7-11-20(12-8-18)27(30)23-5-3-4-6-24(23)28(31,21-13-9-19(2)10-14-21)26-17-22(29)15-16-25(26)27/h3-17,30-31H,1-2H3
InChIKeyUKJSNYXLIIHYHG-UHFFFAOYSA-N
MW471.39 g/mol
LogP5.95
Rot. Bonds2

About 2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol

2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol (PubChem CID 122205730) has the molecular formula C28H23BrO2 and a molecular weight of 471.39 g/mol. Its IUPAC name is 2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol.

Molecular Properties

Compound Name2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol
PubChem CID122205730
Molecular FormulaC28H23BrO2
Molecular Weight471.39 g/mol
Exact Mass470.09
IUPAC Name2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol
SMILESCc1ccc(C2(O)c3ccccc3C(O)(c3ccc(C)cc3)c3cc(Br)ccc32)cc1
InChIInChI=1S/C28H23BrO2/c1-18-7-11-20(12-8-18)27(30)23-5-3-4-6-24(23)28(31,21-13-9-19(2)10-14-21)26-17-22(29)15-16-25(26)27/h3-17,30-31H,1-2H3
InChIKeyUKJSNYXLIIHYHG-UHFFFAOYSA-N
XLogP5.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-9,10-bis(4-methylphenyl)phenanthrene-9,10-diol
CID 142739230
2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol
CID 122388776
17-bromo-10,10-dimethyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,21-diol
CID 67386572
7-bromo-10,10-dimethyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-diol
CID 58175381
ethane;9-(4-methylphenyl)fluoren-9-ol
CID 91233628
7-bromo-14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-diol
CID 58175542
9,10-bis[4-(4-butylphenyl)phenyl]-2-methylanthracene-9,10-diol
CID 59010585
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
CID 89138178
CID 89138178
7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
CID 87437290
2,5-dibromo-9,9-bis(4-methylphenyl)fluorene
CID 91316230
3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol
CID 142567776

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol?
The IUPAC name of 2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol (CID 122205730) is 2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol.
What is the SMILES notation for 2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol?
The canonical SMILES for 2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol is Cc1ccc(C2(O)c3ccccc3C(O)(c3ccc(C)cc3)c3cc(Br)ccc32)cc1.
What is the InChIKey of 2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol?
The InChIKey is UKJSNYXLIIHYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrO2/c1-18-7-11-20(12-8-18)27(30)23-5-3-4-6-24(23)28(31,21-13-9-19(2)10-14-21)26-17-22(29)15-16-25(26)27/h3-17,30-31H,1-2H3.
What are the key properties of 2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol?
2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol has a molecular weight of 471.39 g/mol, XLogP of 5.95, 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-bis(4-methylphenyl)anthracene-9,10-diol is sourced from PubChem (CID 122205730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).