N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine

C22H16N2O2 — CID 18615941

IUPACN-(4-nitrophenyl)-N-phenylnaphthalen-1-amine
SMILESO=[N+]([O-])c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H16N2O2/c25-24(26)20-15-13-19(14-16-20)23(18-9-2-1-3-10-18)22-12-6-8-17-7-4-5-11-21(17)22/h1-16H
InChIKeySTMQTFMUCNHZSQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP6.22
Rot. Bonds4

About N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine

N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine (PubChem CID 18615941) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-nitrophenyl)-N-phenylnaphthalen-1-amine
PubChem CID18615941
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC NameN-(4-nitrophenyl)-N-phenylnaphthalen-1-amine
SMILESO=[N+]([O-])c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H16N2O2/c25-24(26)20-15-13-19(14-16-20)23(18-9-2-1-3-10-18)22-12-6-8-17-7-4-5-11-21(17)22/h1-16H
InChIKeySTMQTFMUCNHZSQ-UHFFFAOYSA-N
XLogP6.22
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 56.22
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)-N-phenylnaphthalen-1-amine?
The IUPAC name of N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine (CID 18615941) is N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine is O=[N+]([O-])c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine?
The InChIKey is STMQTFMUCNHZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-24(26)20-15-13-19(14-16-20)23(18-9-2-1-3-10-18)22-12-6-8-17-7-4-5-11-21(17)22/h1-16H.
What are the key properties of N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine?
N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine has a molecular weight of 340.38 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 18615941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).