N,N'-bis(benzhydrylideneamino)methanimidamide

C27H22N4 — CID 14507970

IUPACN,N'-bis(benzhydrylideneamino)methanimidamide
SMILESC(=N/N=C(c1ccccc1)c1ccccc1)\NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N4/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)30-28-21-29-31-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H,(H,28,29)
InChIKeyFVVZBGRDLYHVJF-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.51
Rot. Bonds7

About N,N'-bis(benzhydrylideneamino)methanimidamide

N,N'-bis(benzhydrylideneamino)methanimidamide (PubChem CID 14507970) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N,N'-bis(benzhydrylideneamino)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(benzhydrylideneamino)methanimidamide
PubChem CID14507970
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC NameN,N'-bis(benzhydrylideneamino)methanimidamide
SMILESC(=N/N=C(c1ccccc1)c1ccccc1)\NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N4/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)30-28-21-29-31-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H,(H,28,29)
InChIKeyFVVZBGRDLYHVJF-UHFFFAOYSA-N
XLogP5.51
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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,N'-bis(benzhydrylideneamino)methanimidamide?
The IUPAC name of N,N'-bis(benzhydrylideneamino)methanimidamide (CID 14507970) is N,N'-bis(benzhydrylideneamino)methanimidamide.
What is the SMILES notation for N,N'-bis(benzhydrylideneamino)methanimidamide?
The canonical SMILES for N,N'-bis(benzhydrylideneamino)methanimidamide is C(=N/N=C(c1ccccc1)c1ccccc1)\NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(benzhydrylideneamino)methanimidamide?
The InChIKey is FVVZBGRDLYHVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)30-28-21-29-31-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H,(H,28,29).
What are the key properties of N,N'-bis(benzhydrylideneamino)methanimidamide?
N,N'-bis(benzhydrylideneamino)methanimidamide has a molecular weight of 402.50 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(benzhydrylideneamino)methanimidamide is sourced from PubChem (CID 14507970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).