N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline

C36H34N2O2 — CID 58231930

IUPACN-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C36H34N2O2/c1-35(2,27-11-7-5-8-12-27)29-15-19-31(20-16-29)37(33-23-25-34(26-24-33)38(39)40)32-21-17-30(18-22-32)36(3,4)28-13-9-6-10-14-28/h5-26H,1-4H3
InChIKeyVIIWYKPBNXFIKG-UHFFFAOYSA-N
MW526.68 g/mol
LogP9.72
Rot. Bonds8

About N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline

N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline (PubChem CID 58231930) has the molecular formula C36H34N2O2 and a molecular weight of 526.68 g/mol. Its IUPAC name is N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
PubChem CID58231930
Molecular FormulaC36H34N2O2
Molecular Weight526.68 g/mol
Exact Mass526.26
IUPAC NameN-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C36H34N2O2/c1-35(2,27-11-7-5-8-12-27)29-15-19-31(20-16-29)37(33-23-25-34(26-24-33)38(39)40)32-21-17-30(18-22-32)36(3,4)28-13-9-6-10-14-28/h5-26H,1-4H3
InChIKeyVIIWYKPBNXFIKG-UHFFFAOYSA-N
XLogP9.72
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 59.72
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The IUPAC name of N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline (CID 58231930) is N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline is CC(C)(c1ccccc1)c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The InChIKey is VIIWYKPBNXFIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N2O2/c1-35(2,27-11-7-5-8-12-27)29-15-19-31(20-16-29)37(33-23-25-34(26-24-33)38(39)40)32-21-17-30(18-22-32)36(3,4)28-13-9-6-10-14-28/h5-26H,1-4H3.
What are the key properties of N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline has a molecular weight of 526.68 g/mol, XLogP of 9.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline is sourced from PubChem (CID 58231930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).