N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine

C34H26N4 — CID 59967951

IUPACN-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine
SMILESC(=NN(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C34H26N4/c1-4-13-29(14-5-1)37(34-25-22-28-12-10-11-19-33(28)36-34)30-23-20-27(21-24-30)26-35-38(31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-26H
InChIKeyLCPOUSKKEYALKN-UHFFFAOYSA-N
MW490.61 g/mol
LogP8.88
Rot. Bonds7

About N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine

N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine (PubChem CID 59967951) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine.

Molecular Properties

Compound NameN-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine
PubChem CID59967951
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC NameN-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine
SMILESC(=NN(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C34H26N4/c1-4-13-29(14-5-1)37(34-25-22-28-12-10-11-19-33(28)36-34)30-23-20-27(21-24-30)26-35-38(31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-26H
InChIKeyLCPOUSKKEYALKN-UHFFFAOYSA-N
XLogP8.88
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine?
The IUPAC name of N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine (CID 59967951) is N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine.
What is the SMILES notation for N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine?
The canonical SMILES for N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine is C(=NN(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine?
The InChIKey is LCPOUSKKEYALKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4/c1-4-13-29(14-5-1)37(34-25-22-28-12-10-11-19-33(28)36-34)30-23-20-27(21-24-30)26-35-38(31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-26H.
What are the key properties of N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine?
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine has a molecular weight of 490.61 g/mol, XLogP of 8.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-N-phenylquinolin-2-amine is sourced from PubChem (CID 59967951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).