N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline

C30H22N2O2 — CID 177082964

IUPACN-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline
SMILESO=[N+]([O-])c1ccccc1Nc1c(-c2ccccc2)cccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H22N2O2/c33-32(34)29-17-8-7-16-28(29)31-30-26(24-12-5-2-6-13-24)14-9-15-27(30)25-20-18-23(19-21-25)22-10-3-1-4-11-22/h1-21,31H
InChIKeyLSBPLZIOKDCMML-UHFFFAOYSA-N
MW442.52 g/mol
LogP8.34
Rot. Bonds6

About N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline

N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline (PubChem CID 177082964) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline
PubChem CID177082964
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC NameN-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline
SMILESO=[N+]([O-])c1ccccc1Nc1c(-c2ccccc2)cccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H22N2O2/c33-32(34)29-17-8-7-16-28(29)31-30-26(24-12-5-2-6-13-24)14-9-15-27(30)25-20-18-23(19-21-25)22-10-3-1-4-11-22/h1-21,31H
InChIKeyLSBPLZIOKDCMML-UHFFFAOYSA-N
XLogP8.34
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 58.34
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'}

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Related Compounds

4-tert-butyl-N-(2-nitrophenyl)-2,6-diphenylaniline
CID 164786582
2-[3,5-bis(trideuteriomethyl)phenyl]-6-(4-tert-butylphenyl)-N-(2-nitrophenyl)aniline
CID 177078220
2-(2-nitroanilino)-4-phenylbenzoic acid
CID 68959849
N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline
CID 164794986
2-(2-nitroanilino)-4-phenylthiophene-3-carbonitrile
CID 126539633
methane;2-nitro-6-phenylaniline;N-(2-nitro-6-phenylphenyl)acetamide
CID 159190796
2-(bromomethyl)-1-nitro-3-phenylbenzene
CID 14317416
N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 2959231
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
1-nitro-2-phenylbenzene;pyridine
CID 174774599
2-nitro-6-phenylbenzamide
CID 139649407
2-[2-(2-nitroanilino)phenyl]acetic acid
CID 18546327

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline?
The IUPAC name of N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline (CID 177082964) is N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline?
The canonical SMILES for N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline is O=[N+]([O-])c1ccccc1Nc1c(-c2ccccc2)cccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline?
The InChIKey is LSBPLZIOKDCMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c33-32(34)29-17-8-7-16-28(29)31-30-26(24-12-5-2-6-13-24)14-9-15-27(30)25-20-18-23(19-21-25)22-10-3-1-4-11-22/h1-21,31H.
What are the key properties of N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline?
N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline has a molecular weight of 442.52 g/mol, XLogP of 8.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline is sourced from PubChem (CID 177082964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).