6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol

C37H26F2N2O4 — CID 165155320

IUPAC6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol
SMILESNc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)c(O)c5F)cc4)c4ccccc4-c4ccccc43)cc2)c(F)c1O
InChIInChI=1S/C37H26F2N2O4/c38-33-31(19-17-29(40)35(33)42)44-23-13-9-21(10-14-23)37(27-7-3-1-5-25(27)26-6-2-4-8-28(26)37)22-11-15-24(16-12-22)45-32-20-18-30(41)36(43)34(32)39/h1-20,42-43H,40-41H2
InChIKeyNLOBQWWDPNXBHG-UHFFFAOYSA-N
MW600.62 g/mol
LogP8.49
Rot. Bonds6

About 6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol

6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol (PubChem CID 165155320) has the molecular formula C37H26F2N2O4 and a molecular weight of 600.62 g/mol. Its IUPAC name is 6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol.

Molecular Properties

Compound Name6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol
PubChem CID165155320
Molecular FormulaC37H26F2N2O4
Molecular Weight600.62 g/mol
Exact Mass600.19
IUPAC Name6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol
SMILESNc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)c(O)c5F)cc4)c4ccccc4-c4ccccc43)cc2)c(F)c1O
InChIInChI=1S/C37H26F2N2O4/c38-33-31(19-17-29(40)35(33)42)44-23-13-9-21(10-14-23)37(27-7-3-1-5-25(27)26-6-2-4-8-28(26)37)22-11-15-24(16-12-22)45-32-20-18-30(41)36(43)34(32)39/h1-20,42-43H,40-41H2
InChIKeyNLOBQWWDPNXBHG-UHFFFAOYSA-N
XLogP8.49
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.62
LogP ≤ 58.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2-adamantyl)-3-[4-[9-[4-[2-(2-adamantyl)-4-amino-3-hydroxyphenoxy]phenyl]fluoren-9-yl]phenoxy]-6-aminophenol
CID 67505924
2-[4-[9-[4-(2-amino-4-methylphenoxy)phenyl]fluoren-9-yl]phenoxy]-5-methylaniline
CID 67411083
2-amino-5-[4-[9-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenol
CID 22979019
9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid
CID 139816339
9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid
CID 139816347
4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline
CID 67410970
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] hypoiodite
CID 144644254
2-amino-5-[4-[9-[4-(4-amino-3-hydroxyphenoxy)phenyl]-1-ethynylfluoren-9-yl]phenoxy]phenol
CID 139999483
4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile
CID 16744152
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
CID 69231179
9,9-diphenylfluorene;methane
CID 145140147

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol?
The IUPAC name of 6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol (CID 165155320) is 6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol.
What is the SMILES notation for 6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol?
The canonical SMILES for 6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol is Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)c(O)c5F)cc4)c4ccccc4-c4ccccc43)cc2)c(F)c1O.
What is the InChIKey of 6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol?
The InChIKey is NLOBQWWDPNXBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26F2N2O4/c38-33-31(19-17-29(40)35(33)42)44-23-13-9-21(10-14-23)37(27-7-3-1-5-25(27)26-6-2-4-8-28(26)37)22-11-15-24(16-12-22)45-32-20-18-30(41)36(43)34(32)39/h1-20,42-43H,40-41H2.
What are the key properties of 6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol?
6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol has a molecular weight of 600.62 g/mol, XLogP of 8.49, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol is sourced from PubChem (CID 165155320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).