[2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol

C25H18FNO3 — CID 174489409

IUPAC[2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol
SMILESO=[N+]([O-])c1cccc(-c2ccc(F)cc2)c1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18FNO3/c26-21-16-14-18(15-17-21)22-12-7-13-23(27(29)30)24(22)25(28,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-17,28H
InChIKeyKNEIAYPSOLTSJW-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.69
Rot. Bonds5

About [2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol

[2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol (PubChem CID 174489409) has the molecular formula C25H18FNO3 and a molecular weight of 399.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol
PubChem CID174489409
Molecular FormulaC25H18FNO3
Molecular Weight399.42 g/mol
Exact Mass399.13
IUPAC Name[2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol
SMILESO=[N+]([O-])c1cccc(-c2ccc(F)cc2)c1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18FNO3/c26-21-16-14-18(15-17-21)22-12-7-13-23(27(29)30)24(22)25(28,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-17,28H
InChIKeyKNEIAYPSOLTSJW-UHFFFAOYSA-N
XLogP5.69
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-4-nitrobenzoic acid
CID 46313085
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide
CID 71188447
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
2-chloro-1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 119024808
(3-nitrophenyl)-diphenylmethanol
CID 2936242
2-nitro-6-phenylbenzamide
CID 139649407
3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one
CID 2346702
N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline
CID 177082964
fluorobenzene;bis(nitric acid)
CID 88837609
1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
CID 46314619
2-(bromomethyl)-1-nitro-3-phenylbenzene
CID 14317416

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol?
The IUPAC name of [2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol (CID 174489409) is [2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol.
What is the SMILES notation for [2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol?
The canonical SMILES for [2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol is O=[N+]([O-])c1cccc(-c2ccc(F)cc2)c1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol?
The InChIKey is KNEIAYPSOLTSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO3/c26-21-16-14-18(15-17-21)22-12-7-13-23(27(29)30)24(22)25(28,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-17,28H.
What are the key properties of [2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol?
[2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol has a molecular weight of 399.42 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6-nitrophenyl]-diphenylmethanol is sourced from PubChem (CID 174489409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).