1-(1,1-diphenylethyl)-4-nitrosobenzene

C20H17NO — CID 155112737

IUPAC1-(1,1-diphenylethyl)-4-nitrosobenzene
SMILESCC(c1ccccc1)(c1ccccc1)c1ccc(N=O)cc1
InChIInChI=1S/C20H17NO/c1-20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-12-14-19(21-22)15-13-18/h2-15H,1H3
InChIKeyNMXLIPWADVTEPW-UHFFFAOYSA-N
MW287.36 g/mol
LogP5.44
Rot. Bonds4

About 1-(1,1-diphenylethyl)-4-nitrosobenzene

1-(1,1-diphenylethyl)-4-nitrosobenzene (PubChem CID 155112737) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(1,1-diphenylethyl)-4-nitrosobenzene.

Molecular Properties

Compound Name1-(1,1-diphenylethyl)-4-nitrosobenzene
PubChem CID155112737
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name1-(1,1-diphenylethyl)-4-nitrosobenzene
SMILESCC(c1ccccc1)(c1ccccc1)c1ccc(N=O)cc1
InChIInChI=1S/C20H17NO/c1-20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-12-14-19(21-22)15-13-18/h2-15H,1H3
InChIKeyNMXLIPWADVTEPW-UHFFFAOYSA-N
XLogP5.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol
CID 130313511
1-tert-butyl-4-(4-nitrosophenyl)benzene
CID 3025980
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
CID 153299511
1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150
hydroxylamine;nitrosobenzene
CID 159845524
3-methyl-3-(4-nitrosophenyl)butanal
CID 87111931
(1-bromo-1-phenylethyl)benzene
CID 19019197
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
4-(1,1-diphenylethyl)-N,N-diethylaniline
CID 139052612
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl]oxidanium
CID 144946665
1,1-diphenylethylbenzene;prop-2-enamide
CID 174910563

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diphenylethyl)-4-nitrosobenzene?
The IUPAC name of 1-(1,1-diphenylethyl)-4-nitrosobenzene (CID 155112737) is 1-(1,1-diphenylethyl)-4-nitrosobenzene.
What is the SMILES notation for 1-(1,1-diphenylethyl)-4-nitrosobenzene?
The canonical SMILES for 1-(1,1-diphenylethyl)-4-nitrosobenzene is CC(c1ccccc1)(c1ccccc1)c1ccc(N=O)cc1.
What is the InChIKey of 1-(1,1-diphenylethyl)-4-nitrosobenzene?
The InChIKey is NMXLIPWADVTEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-12-14-19(21-22)15-13-18/h2-15H,1H3.
What are the key properties of 1-(1,1-diphenylethyl)-4-nitrosobenzene?
1-(1,1-diphenylethyl)-4-nitrosobenzene has a molecular weight of 287.36 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diphenylethyl)-4-nitrosobenzene is sourced from PubChem (CID 155112737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).