[2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone

C32H24N2O3 — CID 10939825

IUPAC[2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone
SMILESCc1ccc(-c2cc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C32H24N2O3/c1-21-12-14-23(15-13-21)28-20-27(22-8-4-2-5-9-22)29(24-16-18-26(19-17-24)34(36)37)31(33)30(28)32(35)25-10-6-3-7-11-25/h2-20H,33H2,1H3
InChIKeyFNOHNWOMVSJYPX-UHFFFAOYSA-N
MW484.56 g/mol
LogP7.72
Rot. Bonds6

About [2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone

[2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone (PubChem CID 10939825) has the molecular formula C32H24N2O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is [2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone
PubChem CID10939825
Molecular FormulaC32H24N2O3
Molecular Weight484.56 g/mol
Exact Mass484.18
IUPAC Name[2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone
SMILESCc1ccc(-c2cc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C32H24N2O3/c1-21-12-14-23(15-13-21)28-20-27(22-8-4-2-5-9-22)29(24-16-18-26(19-17-24)34(36)37)31(33)30(28)32(35)25-10-6-3-7-11-25/h2-20H,33H2,1H3
InChIKeyFNOHNWOMVSJYPX-UHFFFAOYSA-N
XLogP7.72
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 [2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone?
The IUPAC name of [2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone (CID 10939825) is [2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone.
What is the SMILES notation for [2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone?
The canonical SMILES for [2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone is Cc1ccc(-c2cc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c(N)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone?
The InChIKey is FNOHNWOMVSJYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O3/c1-21-12-14-23(15-13-21)28-20-27(22-8-4-2-5-9-22)29(24-16-18-26(19-17-24)34(36)37)31(33)30(28)32(35)25-10-6-3-7-11-25/h2-20H,33H2,1H3.
What are the key properties of [2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone?
[2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone has a molecular weight of 484.56 g/mol, XLogP of 7.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone is sourced from PubChem (CID 10939825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).