(4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone

C34H26FNO3 — CID 91518917

IUPAC(4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone
SMILESO=NCc1ccc(C(=O)c2ccc(F)cc2)c(CO)c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26FNO3/c35-29-19-16-24(17-20-29)33(38)30-21-18-25(22-36-39)32(31(30)23-37)34(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-21,37H,22-23H2
InChIKeyLQSLXIIUAMLGLW-UHFFFAOYSA-N
MW515.58 g/mol
LogP7.20
Rot. Bonds9

About (4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone

(4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone (PubChem CID 91518917) has the molecular formula C34H26FNO3 and a molecular weight of 515.58 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone
PubChem CID91518917
Molecular FormulaC34H26FNO3
Molecular Weight515.58 g/mol
Exact Mass515.19
IUPAC Name(4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone
SMILESO=NCc1ccc(C(=O)c2ccc(F)cc2)c(CO)c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26FNO3/c35-29-19-16-24(17-20-29)33(38)30-21-18-25(22-36-39)32(31(30)23-37)34(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-21,37H,22-23H2
InChIKeyLQSLXIIUAMLGLW-UHFFFAOYSA-N
XLogP7.20
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.58
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-Fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone
CID 85327020
(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(Z)-trityloxyiminomethyl]phenyl]methanone
CID 88010384
(4-Fluorophenyl)-[4-(hydroxyiminomethyl)-2-(hydroxymethyl)-3-tritylphenyl]methanone
CID 88010385
4-[3-[3,3-Dimethyl-1-(4-methylphenyl)inden-5-yl]-3-nitrosoprop-1-enyl]-3-fluorobenzoic acid
CID 90894625
[3-Benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone
CID 90959939
4-[3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-nitrosoprop-1-enyl]-3-fluorobenzoic acid
CID 91140209
[6-[(4-Fluorophenyl)methyl]-3-(nitrosomethyl)-2-tritylphenyl]methanol
CID 91352899
(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone
CID 10142536
6-[[4-(4-Tert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-nitrosomethyl]naphthalene-2-carboxylic acid
CID 90703838
6-[Nitroso-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]methyl]naphthalene-2-carboxylic acid
CID 90749777

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone (CID 91518917) is (4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone is O=NCc1ccc(C(=O)c2ccc(F)cc2)c(CO)c1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone?
The InChIKey is LQSLXIIUAMLGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26FNO3/c35-29-19-16-24(17-20-29)33(38)30-21-18-25(22-36-39)32(31(30)23-37)34(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-21,37H,22-23H2.
What are the key properties of (4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone?
(4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone has a molecular weight of 515.58 g/mol, XLogP of 7.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone is sourced from PubChem (CID 91518917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).