4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol

C39H24F6O2 — CID 170563548

IUPAC4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(-c4cccc(C(F)(F)F)c4)c3)c3ccccc3-c3ccccc32)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C39H24F6O2/c40-38(41,42)27-9-5-7-23(19-27)31-21-25(15-17-35(31)46)37(33-13-3-1-11-29(33)30-12-2-4-14-34(30)37)26-16-18-36(47)32(22-26)24-8-6-10-28(20-24)39(43,44)45/h1-22,46-47H
InChIKeyDUKSCDBACWGPOV-UHFFFAOYSA-N
MW638.61 g/mol
LogP10.83
Rot. Bonds4

About 4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol

4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol (PubChem CID 170563548) has the molecular formula C39H24F6O2 and a molecular weight of 638.61 g/mol. Its IUPAC name is 4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol
PubChem CID170563548
Molecular FormulaC39H24F6O2
Molecular Weight638.61 g/mol
Exact Mass638.17
IUPAC Name4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(-c4cccc(C(F)(F)F)c4)c3)c3ccccc3-c3ccccc32)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C39H24F6O2/c40-38(41,42)27-9-5-7-23(19-27)31-21-25(15-17-35(31)46)37(33-13-3-1-11-29(33)30-12-2-4-14-34(30)37)26-16-18-36(47)32(22-26)24-8-6-10-28(20-24)39(43,44)45/h1-22,46-47H
InChIKeyDUKSCDBACWGPOV-UHFFFAOYSA-N
XLogP10.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.61
LogP ≤ 510.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
CID 142536353
4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
CID 142536400
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369386
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 126487265
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol (CID 170563548) is 4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol is Oc1ccc(C2(c3ccc(O)c(-c4cccc(C(F)(F)F)c4)c3)c3ccccc3-c3ccccc32)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol?
The InChIKey is DUKSCDBACWGPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F6O2/c40-38(41,42)27-9-5-7-23(19-27)31-21-25(15-17-35(31)46)37(33-13-3-1-11-29(33)30-12-2-4-14-34(30)37)26-16-18-36(47)32(22-26)24-8-6-10-28(20-24)39(43,44)45/h1-22,46-47H.
What are the key properties of 4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol?
4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol has a molecular weight of 638.61 g/mol, XLogP of 10.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 170563548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).