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

C23H14Br2F6O — CID 178176799

IUPAC3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol
SMILESCc1ccccc1C1(O)c2ccc(Br)cc2C(C(F)(F)F)(C(F)(F)F)c2cc(Br)ccc21
InChIInChI=1S/C23H14Br2F6O/c1-12-4-2-3-5-15(12)20(32)16-8-6-13(24)10-18(16)21(22(26,27)28,23(29,30)31)19-11-14(25)7-9-17(19)20/h2-11,32H,1H3
InChIKeyGLBSRXLQQIXLCR-UHFFFAOYSA-N
MW580.16 g/mol
LogP7.53
Rot. Bonds1

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

3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol (PubChem CID 178176799) has the molecular formula C23H14Br2F6O and a molecular weight of 580.16 g/mol. Its IUPAC name is 3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol.

Molecular Properties

Compound Name3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol
PubChem CID178176799
Molecular FormulaC23H14Br2F6O
Molecular Weight580.16 g/mol
Exact Mass577.93
IUPAC Name3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol
SMILESCc1ccccc1C1(O)c2ccc(Br)cc2C(C(F)(F)F)(C(F)(F)F)c2cc(Br)ccc21
InChIInChI=1S/C23H14Br2F6O/c1-12-4-2-3-5-15(12)20(32)16-8-6-13(24)10-18(16)21(22(26,27)28,23(29,30)31)19-11-14(25)7-9-17(19)20/h2-11,32H,1H3
InChIKeyGLBSRXLQQIXLCR-UHFFFAOYSA-N
XLogP7.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.16
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol?
The IUPAC name of 3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol (CID 178176799) is 3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol.
What is the SMILES notation for 3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol?
The canonical SMILES for 3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol is Cc1ccccc1C1(O)c2ccc(Br)cc2C(C(F)(F)F)(C(F)(F)F)c2cc(Br)ccc21.
What is the InChIKey of 3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol?
The InChIKey is GLBSRXLQQIXLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Br2F6O/c1-12-4-2-3-5-15(12)20(32)16-8-6-13(24)10-18(16)21(22(26,27)28,23(29,30)31)19-11-14(25)7-9-17(19)20/h2-11,32H,1H3.
What are the key properties of 3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol?
3,6-dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol has a molecular weight of 580.16 g/mol, XLogP of 7.53, 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-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol is sourced from PubChem (CID 178176799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).