3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol

C24H16Br2F6O — CID 178176785

IUPAC3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol
SMILESCc1ccc(C)c(C2(O)c3ccc(Br)cc3C(C(F)(F)F)(C(F)(F)F)c3cc(Br)ccc32)c1
InChIInChI=1S/C24H16Br2F6O/c1-12-3-4-13(2)18(9-12)21(33)16-7-5-14(25)10-19(16)22(23(27,28)29,24(30,31)32)20-11-15(26)6-8-17(20)21/h3-11,33H,1-2H3
InChIKeyGWIMZKMUDVUYAX-UHFFFAOYSA-N
MW594.19 g/mol
LogP7.84
Rot. Bonds1

About 3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol

3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol (PubChem CID 178176785) has the molecular formula C24H16Br2F6O and a molecular weight of 594.19 g/mol. Its IUPAC name is 3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol.

Molecular Properties

Compound Name3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol
PubChem CID178176785
Molecular FormulaC24H16Br2F6O
Molecular Weight594.19 g/mol
Exact Mass591.95
IUPAC Name3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol
SMILESCc1ccc(C)c(C2(O)c3ccc(Br)cc3C(C(F)(F)F)(C(F)(F)F)c3cc(Br)ccc32)c1
InChIInChI=1S/C24H16Br2F6O/c1-12-3-4-13(2)18(9-12)21(33)16-7-5-14(25)10-19(16)22(23(27,28)29,24(30,31)32)20-11-15(26)6-8-17(20)21/h3-11,33H,1-2H3
InChIKeyGWIMZKMUDVUYAX-UHFFFAOYSA-N
XLogP7.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.19
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol
CID 122205730
3,6-dibromo-10,10-bis(trifluoromethyl)anthracen-9-one
CID 178176795
3-(5-bromo-2-methylphenyl)oxetan-3-ol
CID 116873033
2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione
CID 10730454
2,6-dibromo-9,10-dimethylanthracene-9,10-diol
CID 59766462
2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol
CID 10858443
2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene
CID 59512925
methyl 2-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]-2-methylpropanoate
CID 116873617
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol
CID 107333478
1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506
3-bromo-9,10-bis(4-methylphenyl)phenanthrene-9,10-diol
CID 142739230
7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331056

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol?
The IUPAC name of 3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol (CID 178176785) is 3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol.
What is the SMILES notation for 3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol?
The canonical SMILES for 3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol is Cc1ccc(C)c(C2(O)c3ccc(Br)cc3C(C(F)(F)F)(C(F)(F)F)c3cc(Br)ccc32)c1.
What is the InChIKey of 3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol?
The InChIKey is GWIMZKMUDVUYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2F6O/c1-12-3-4-13(2)18(9-12)21(33)16-7-5-14(25)10-19(16)22(23(27,28)29,24(30,31)32)20-11-15(26)6-8-17(20)21/h3-11,33H,1-2H3.
What are the key properties of 3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol?
3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol has a molecular weight of 594.19 g/mol, XLogP of 7.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol is sourced from PubChem (CID 178176785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).