2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol

C33H33BrO — CID 23531514

IUPAC2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C2(O)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C33H33BrO/c1-31(2,3)22-13-11-21(12-14-22)25-17-15-23(32(4,5)6)19-29(25)33(35)28-10-8-7-9-26(28)27-18-16-24(34)20-30(27)33/h7-20,35H,1-6H3
InChIKeyHAFODDVYCFRCCZ-UHFFFAOYSA-N
MW525.53 g/mol
LogP8.98
Rot. Bonds2

About 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol

2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol (PubChem CID 23531514) has the molecular formula C33H33BrO and a molecular weight of 525.53 g/mol. Its IUPAC name is 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol.

Molecular Properties

Compound Name2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol
PubChem CID23531514
Molecular FormulaC33H33BrO
Molecular Weight525.53 g/mol
Exact Mass524.17
IUPAC Name2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C2(O)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C33H33BrO/c1-31(2,3)22-13-11-21(12-14-22)25-17-15-23(32(4,5)6)19-29(25)33(35)28-10-8-7-9-26(28)27-18-16-24(34)20-30(27)33/h7-20,35H,1-6H3
InChIKeyHAFODDVYCFRCCZ-UHFFFAOYSA-N
XLogP8.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.53
LogP ≤ 58.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-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 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol?
The IUPAC name of 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol (CID 23531514) is 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol.
What is the SMILES notation for 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol?
The canonical SMILES for 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C2(O)c3ccccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol?
The InChIKey is HAFODDVYCFRCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33BrO/c1-31(2,3)22-13-11-21(12-14-22)25-17-15-23(32(4,5)6)19-29(25)33(35)28-10-8-7-9-26(28)27-18-16-24(34)20-30(27)33/h7-20,35H,1-6H3.
What are the key properties of 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol?
2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol has a molecular weight of 525.53 g/mol, XLogP of 8.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]fluoren-9-ol is sourced from PubChem (CID 23531514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).