N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline

C30H30N2O2 — CID 164794986

IUPACN-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline
SMILESCC(C)(c1ccccc1)c1cccc(C(C)(C)c2ccccc2)c1Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C30H30N2O2/c1-29(2,22-14-7-5-8-15-22)24-18-13-19-25(30(3,4)23-16-9-6-10-17-23)28(24)31-26-20-11-12-21-27(26)32(33)34/h5-21,31H,1-4H3
InChIKeyQOAHVOKZAUFHGO-UHFFFAOYSA-N
MW450.58 g/mol
LogP7.99
Rot. Bonds7

About N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline

N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline (PubChem CID 164794986) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline
PubChem CID164794986
Molecular FormulaC30H30N2O2
Molecular Weight450.58 g/mol
Exact Mass450.23
IUPAC NameN-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline
SMILESCC(C)(c1ccccc1)c1cccc(C(C)(C)c2ccccc2)c1Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C30H30N2O2/c1-29(2,22-14-7-5-8-15-22)24-18-13-19-25(30(3,4)23-16-9-6-10-17-23)28(24)31-26-20-11-12-21-27(26)32(33)34/h5-21,31H,1-4H3
InChIKeyQOAHVOKZAUFHGO-UHFFFAOYSA-N
XLogP7.99
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 57.99
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

2,6-bis(2-phenylpropan-2-yl)aniline;1-iodo-2-nitrobenzene;N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline
CID 164996857
4-tert-butyl-N-(2-nitrophenyl)-2,6-diphenylaniline
CID 164786582
2,6-dibromo-4-tert-butyl-N-(2-nitrophenyl)aniline
CID 170690718
N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline
CID 177082964
2-bromo-4-tert-butyl-6-chloro-N-(2-nitrophenyl)aniline
CID 170838262
3-fluoro-2-methyl-N-(2-nitrophenyl)aniline
CID 68895859
2-[3,5-bis(trideuteriomethyl)phenyl]-6-(4-tert-butylphenyl)-N-(2-nitrophenyl)aniline
CID 177078220
N-[2-(3,4-dimethylphenyl)propan-2-yl]-2-nitroaniline
CID 175324167
1-[dinitro(phenyl)methyl]-2-nitrobenzene
CID 88645893
[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene
CID 141047377
6-methyl-N-(2-nitrophenyl)pyridin-2-amine
CID 69251400
4-(3,5-ditert-butylphenyl)-2-methoxy-N-(2-nitrophenyl)aniline
CID 176843404

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline?
The IUPAC name of N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline (CID 164794986) is N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline.
What is the SMILES notation for N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline?
The canonical SMILES for N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline is CC(C)(c1ccccc1)c1cccc(C(C)(C)c2ccccc2)c1Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline?
The InChIKey is QOAHVOKZAUFHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2/c1-29(2,22-14-7-5-8-15-22)24-18-13-19-25(30(3,4)23-16-9-6-10-17-23)28(24)31-26-20-11-12-21-27(26)32(33)34/h5-21,31H,1-4H3.
What are the key properties of N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline?
N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline has a molecular weight of 450.58 g/mol, XLogP of 7.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2,6-bis(2-phenylpropan-2-yl)aniline is sourced from PubChem (CID 164794986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).