(1-nitro-2,2,2-triphenylethyl)benzene

C26H21NO2 — CID 134984287

IUPAC(1-nitro-2,2,2-triphenylethyl)benzene
SMILESO=[N+]([O-])C(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21NO2/c28-27(29)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H
InChIKeyZADHLAKJJQFJAG-UHFFFAOYSA-N
MW379.46 g/mol
LogP6.04
Rot. Bonds6

About (1-nitro-2,2,2-triphenylethyl)benzene

(1-nitro-2,2,2-triphenylethyl)benzene (PubChem CID 134984287) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (1-nitro-2,2,2-triphenylethyl)benzene.

Molecular Properties

Compound Name(1-nitro-2,2,2-triphenylethyl)benzene
PubChem CID134984287
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name(1-nitro-2,2,2-triphenylethyl)benzene
SMILESO=[N+]([O-])C(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21NO2/c28-27(29)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H
InChIKeyZADHLAKJJQFJAG-UHFFFAOYSA-N
XLogP6.04
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-bromo-3,3-dimethyl-4-nitro-4-phenylbutan-2-ol
CID 88654152
nitro(phenyl)methanamine
CID 174706034
benzene;nitro(phenyl)methanol
CID 174698323
(2-nitro-1-phenylethyl)benzene
CID 11521460
2-nitro-1-phenylpropane-1,1-diol
CID 67839406
(1-bromo-2,2,2-triphenylethyl)benzene
CID 141334125
O-[nitro(phenyl)methyl]hydroxylamine
CID 18508857
(1S,2S)-1-nitro-2-phenylethane-1,2-diol
CID 101193142
2-nitro-2,3,3-triphenylpropanenitrile
CID 134985139
3-(4-nitrophenyl)-1-phenylbutane-1,3-diol
CID 70228127
2-nitro-2-phenylethanethial
CID 91200001
[disulfanyl(nitro)methyl]benzene
CID 173217479

Frequently Asked Questions

What is the IUPAC name of (1-nitro-2,2,2-triphenylethyl)benzene?
The IUPAC name of (1-nitro-2,2,2-triphenylethyl)benzene (CID 134984287) is (1-nitro-2,2,2-triphenylethyl)benzene.
What is the SMILES notation for (1-nitro-2,2,2-triphenylethyl)benzene?
The canonical SMILES for (1-nitro-2,2,2-triphenylethyl)benzene is O=[N+]([O-])C(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-nitro-2,2,2-triphenylethyl)benzene?
The InChIKey is ZADHLAKJJQFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c28-27(29)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H.
What are the key properties of (1-nitro-2,2,2-triphenylethyl)benzene?
(1-nitro-2,2,2-triphenylethyl)benzene has a molecular weight of 379.46 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-nitro-2,2,2-triphenylethyl)benzene is sourced from PubChem (CID 134984287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).