N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine

C27H26N4 — CID 91030836

IUPACN-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine
SMILESCNN=C(c1ccccc1)c1ccccc1.NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2.C13H12N2/c1-15-16-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-11,15H,1H3;1-10H,14H2
InChIKeyQKTVAASPWURCNH-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.06
Rot. Bonds5

About N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine

N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine (PubChem CID 91030836) has the molecular formula C27H26N4 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine
PubChem CID91030836
Molecular FormulaC27H26N4
Molecular Weight406.53 g/mol
Exact Mass406.22
IUPAC NameN-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine
SMILESCNN=C(c1ccccc1)c1ccccc1.NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2.C13H12N2/c1-15-16-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-11,15H,1H3;1-10H,14H2
InChIKeyQKTVAASPWURCNH-UHFFFAOYSA-N
XLogP5.06
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzophenone azine
CID 101221
1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine
CID 117688522
1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine
CID 117688554
Diazotetraphenylcyclopentadiene
CID 3407865
3,4,7,8-Tetraphenyl-1,2,5,6-tetrazocine
CID 49766999
1-N,4-N-bis(benzhydrylideneamino)cyclohexa-2,5-diene-1,4-diimine
CID 347651
1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine
CID 86279064
N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine
CID 5251820
Ethanone, 1,2-diphenyl-, (1,2-diphenylethylidene)hydrazone
CID 5368656
1-(Diphenylmethylene)-2-methylhydrazine
CID 5255009
1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine
CID 172918084
1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine
CID 172918086

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine?
The IUPAC name of N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine (CID 91030836) is N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine.
What is the SMILES notation for N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine?
The canonical SMILES for N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine is CNN=C(c1ccccc1)c1ccccc1.NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine?
The InChIKey is QKTVAASPWURCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.C13H12N2/c1-15-16-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-11,15H,1H3;1-10H,14H2.
What are the key properties of N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine?
N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine has a molecular weight of 406.53 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)methanamine;benzhydrylidenehydrazine is sourced from PubChem (CID 91030836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).