2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol

C25H14Br4O2 — CID 15500374

IUPAC2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1c(Br)cc(C2(c3cc(Br)c(O)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br
InChIInChI=1S/C25H14Br4O2/c26-19-9-13(10-20(27)23(19)30)25(14-11-21(28)24(31)22(29)12-14)17-7-3-1-5-15(17)16-6-2-4-8-18(16)25/h1-12,30-31H
InChIKeyVYTXKAABSCYYEU-UHFFFAOYSA-N
MW666.00 g/mol
LogP8.51
Rot. Bonds2

About 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol

2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol (PubChem CID 15500374) has the molecular formula C25H14Br4O2 and a molecular weight of 666.00 g/mol. Its IUPAC name is 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol
PubChem CID15500374
Molecular FormulaC25H14Br4O2
Molecular Weight666.00 g/mol
Exact Mass661.77
IUPAC Name2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1c(Br)cc(C2(c3cc(Br)c(O)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br
InChIInChI=1S/C25H14Br4O2/c26-19-9-13(10-20(27)23(19)30)25(14-11-21(28)24(31)22(29)12-14)17-7-3-1-5-15(17)16-6-2-4-8-18(16)25/h1-12,30-31H
InChIKeyVYTXKAABSCYYEU-UHFFFAOYSA-N
XLogP8.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.00
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

Tetrabromobisphenol A
CID 6618
Tribromobisphenol A
CID 80801
4-[1-[4-[1,1-Bis(3-bromo-4-hydroxy-phenyl)ethyl]phenyl]-1-methyl-ethyl]-2-bromo-phenol
CID 42618092
(8R,9S,13S,14S,17R)-17-[(3,5-dibromophenyl)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 54769805
Carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 169475
4-[(5-Bromanyl-2,3-Dihydroinden-1-Ylidene)-(4-Hydroxyphenyl)methyl]phenol
CID 123133749
1-Bromo-4-(4-bromophenyl)benzene;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 44149485
Carbonyl dichloride;2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 44153467
2,6-Dibromo-4-(1-methyl-1-phenylethyl) phenol
CID 18949356
2-Bromo-4-[3-(3-bromo-4-hydroxyphenyl)-1-adamantyl]phenol
CID 21943972
4,4'-(2,7-Dibromo-9H-fluorene-9,9-diyl)diphenol
CID 22020076
Phenyl, 4,4'-(1-methylpropylidene)bis(2,6-dibromo-
CID 179700

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol (CID 15500374) is 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol is Oc1c(Br)cc(C2(c3cc(Br)c(O)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol?
The InChIKey is VYTXKAABSCYYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Br4O2/c26-19-9-13(10-20(27)23(19)30)25(14-11-21(28)24(31)22(29)12-14)17-7-3-1-5-15(17)16-6-2-4-8-18(16)25/h1-12,30-31H.
What are the key properties of 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol?
2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol has a molecular weight of 666.00 g/mol, XLogP of 8.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 15500374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).