N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline

C21H18N4 — CID 7821090

IUPACN-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline
SMILESc1ccc(N/N=C2/C/C(=N\Nc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C21H18N4/c1-3-9-16(10-4-1)22-24-20-15-21(19-14-8-7-13-18(19)20)25-23-17-11-5-2-6-12-17/h1-14,22-23H,15H2/b24-20-,25-21+
InChIKeyQSSNQDODUJUVDU-FXYBLIFYSA-N
MW326.40 g/mol
LogP4.72
Rot. Bonds4

About N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline

N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline (PubChem CID 7821090) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline
PubChem CID7821090
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline
SMILESc1ccc(N/N=C2/C/C(=N\Nc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C21H18N4/c1-3-9-16(10-4-1)22-24-20-15-21(19-14-8-7-13-18(19)20)25-23-17-11-5-2-6-12-17/h1-14,22-23H,15H2/b24-20-,25-21+
InChIKeyQSSNQDODUJUVDU-FXYBLIFYSA-N
XLogP4.72
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.72
H-Bond Donors ≤ 52
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-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline (CID 7821090) is N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline is c1ccc(N/N=C2/C/C(=N\Nc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline?
The InChIKey is QSSNQDODUJUVDU-FXYBLIFYSA-N. The full InChI is InChI=1S/C21H18N4/c1-3-9-16(10-4-1)22-24-20-15-21(19-14-8-7-13-18(19)20)25-23-17-11-5-2-6-12-17/h1-14,22-23H,15H2/b24-20-,25-21+.
What are the key properties of N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline?
N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline has a molecular weight of 326.40 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline is sourced from PubChem (CID 7821090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).