2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C31H26F6N2O2 — CID 90246896

IUPAC2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)(O)c1cc(C2(c3ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)ccc1N
InChIInChI=1S/C31H26F6N2O2/c1-27(2,40)23-15-17(11-13-25(23)38)28(21-9-5-3-7-19(21)20-8-4-6-10-22(20)28)18-12-14-26(39)24(16-18)29(41,30(32,33)34)31(35,36)37/h3-16,40-41H,38-39H2,1-2H3
InChIKeyGEXUUKDCSHUZKW-UHFFFAOYSA-N
MW572.55 g/mol
LogP6.75
Rot. Bonds4

About 2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 90246896) has the molecular formula C31H26F6N2O2 and a molecular weight of 572.55 g/mol. Its IUPAC name is 2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID90246896
Molecular FormulaC31H26F6N2O2
Molecular Weight572.55 g/mol
Exact Mass572.19
IUPAC Name2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)(O)c1cc(C2(c3ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)ccc1N
InChIInChI=1S/C31H26F6N2O2/c1-27(2,40)23-15-17(11-13-25(23)38)28(21-9-5-3-7-19(21)20-8-4-6-10-22(20)28)18-12-14-26(39)24(16-18)29(41,30(32,33)34)31(35,36)37/h3-16,40-41H,38-39H2,1-2H3
InChIKeyGEXUUKDCSHUZKW-UHFFFAOYSA-N
XLogP6.75
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.55
LogP ≤ 56.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-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-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 90246896) is 2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC(C)(O)c1cc(C2(c3ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)ccc1N.
What is the InChIKey of 2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is GEXUUKDCSHUZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F6N2O2/c1-27(2,40)23-15-17(11-13-25(23)38)28(21-9-5-3-7-19(21)20-8-4-6-10-22(20)28)18-12-14-26(39)24(16-18)29(41,30(32,33)34)31(35,36)37/h3-16,40-41H,38-39H2,1-2H3.
What are the key properties of 2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 572.55 g/mol, XLogP of 6.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 90246896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).