1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene

C28H19NO2 — CID 90215701

IUPAC1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene
SMILESO=[N+]([O-])c1cc(-c2ccccc2)ccc1-c1ccc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C28H19NO2/c30-29(31)28-19-22(20-9-3-1-4-10-20)15-16-27(28)26-18-17-23(21-11-5-2-6-12-21)24-13-7-8-14-25(24)26/h1-19H
InChIKeyDFZAUEKOXSEXAB-UHFFFAOYSA-N
MW401.47 g/mol
LogP7.75
Rot. Bonds4

About 1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene

1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene (PubChem CID 90215701) has the molecular formula C28H19NO2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene.

Molecular Properties

Compound Name1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene
PubChem CID90215701
Molecular FormulaC28H19NO2
Molecular Weight401.47 g/mol
Exact Mass401.14
IUPAC Name1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene
SMILESO=[N+]([O-])c1cc(-c2ccccc2)ccc1-c1ccc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C28H19NO2/c30-29(31)28-19-22(20-9-3-1-4-10-20)15-16-27(28)26-18-17-23(21-11-5-2-6-12-21)24-13-7-8-14-25(24)26/h1-19H
InChIKeyDFZAUEKOXSEXAB-UHFFFAOYSA-N
XLogP7.75
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene?
The IUPAC name of 1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene (CID 90215701) is 1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene.
What is the SMILES notation for 1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene?
The canonical SMILES for 1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene is O=[N+]([O-])c1cc(-c2ccccc2)ccc1-c1ccc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene?
The InChIKey is DFZAUEKOXSEXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO2/c30-29(31)28-19-22(20-9-3-1-4-10-20)15-16-27(28)26-18-17-23(21-11-5-2-6-12-21)24-13-7-8-14-25(24)26/h1-19H.
What are the key properties of 1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene?
1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene has a molecular weight of 401.47 g/mol, XLogP of 7.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene is sourced from PubChem (CID 90215701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).