[5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol

C31H22BrFO — CID 138723714

IUPAC[5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C31H22BrFO/c32-25-17-20-29(28-14-8-7-13-27(28)22-15-18-26(33)19-16-22)30(21-25)31(34,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-21,34H
InChIKeyPJVSPRFPUFMYGI-UHFFFAOYSA-N
MW509.42 g/mol
LogP8.21
Rot. Bonds5

About [5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol

[5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol (PubChem CID 138723714) has the molecular formula C31H22BrFO and a molecular weight of 509.42 g/mol. Its IUPAC name is [5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol
PubChem CID138723714
Molecular FormulaC31H22BrFO
Molecular Weight509.42 g/mol
Exact Mass508.08
IUPAC Name[5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C31H22BrFO/c32-25-17-20-29(28-14-8-7-13-27(28)22-15-18-26(33)19-16-22)30(21-25)31(34,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-21,34H
InChIKeyPJVSPRFPUFMYGI-UHFFFAOYSA-N
XLogP8.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.42
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Bis(4-bromophenyl)(phenyl)methanol
CID 4152948
Tris(4-bromophenyl)methanol
CID 12580271
[5-Bromo-2-[1-(4-fluorophenyl)ethenyl]phenyl]methanol
CID 58623323
1-(4-Bromophenyl)-1,4,4-triphenylbut-2-yne-1,4-diol
CID 134884665
(4-Bromophenyl)(diphenyl)methanol
CID 277379
1-(4-Bromophenyl)-1,2,2-triphenylethanol
CID 70944611
1-[4-Bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol
CID 20741966
2-[4-(3-Bromophenyl)phenyl]-4-fluorobutan-2-ol
CID 21396450
2-[4-(4-Bromophenyl)phenyl]-4-fluorobutan-2-ol
CID 21396520
6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 22709066
[5-Bromo-2-(2-methylphenyl)phenyl]-(2-fluorophenyl)methanol
CID 54143892
(7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol
CID 58246429

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol?
The IUPAC name of [5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol (CID 138723714) is [5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol.
What is the SMILES notation for [5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol?
The canonical SMILES for [5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-c1ccccc1-c1ccc(F)cc1.
What is the InChIKey of [5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol?
The InChIKey is PJVSPRFPUFMYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22BrFO/c32-25-17-20-29(28-14-8-7-13-27(28)22-15-18-26(33)19-16-22)30(21-25)31(34,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-21,34H.
What are the key properties of [5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol?
[5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol has a molecular weight of 509.42 g/mol, XLogP of 8.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[2-(4-fluorophenyl)phenyl]phenyl]-diphenylmethanol is sourced from PubChem (CID 138723714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).