1,2,3-tris(1-phenylethylideneamino)guanidine

C25H26N6 — CID 5226187

IUPAC1,2,3-tris(1-phenylethylideneamino)guanidine
SMILESCC(=NN=C(NN=C(C)c1ccccc1)NN=C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N6/c1-19(22-13-7-4-8-14-22)26-29-25(30-27-20(2)23-15-9-5-10-16-23)31-28-21(3)24-17-11-6-12-18-24/h4-18H,1-3H3,(H2,29,30,31)
InChIKeyRXBDFPMHYLTZDJ-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.79
Rot. Bonds6

About 1,2,3-tris(1-phenylethylideneamino)guanidine

1,2,3-tris(1-phenylethylideneamino)guanidine (PubChem CID 5226187) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 1,2,3-tris(1-phenylethylideneamino)guanidine.

Molecular Properties

Compound Name1,2,3-tris(1-phenylethylideneamino)guanidine
PubChem CID5226187
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name1,2,3-tris(1-phenylethylideneamino)guanidine
SMILESCC(=NN=C(NN=C(C)c1ccccc1)NN=C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N6/c1-19(22-13-7-4-8-14-22)26-29-25(30-27-20(2)23-15-9-5-10-16-23)31-28-21(3)24-17-11-6-12-18-24/h4-18H,1-3H3,(H2,29,30,31)
InChIKeyRXBDFPMHYLTZDJ-UHFFFAOYSA-N
XLogP4.79
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276
(1-phenylethylideneamino)thiourea
CID 912962
4-oxo-4-[2-(1-phenylethylidene)hydrazinyl]but-2-enoic acid
CID 3074623
1-chloro-3-[(E)-1-phenylethylideneamino]thiourea
CID 119086903
2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
CID 13451380
CID 127025281
CID 127025281
nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)
CID 5245817
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium
CID 50912150
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(1-phenylethylideneamino)guanidine?
The IUPAC name of 1,2,3-tris(1-phenylethylideneamino)guanidine (CID 5226187) is 1,2,3-tris(1-phenylethylideneamino)guanidine.
What is the SMILES notation for 1,2,3-tris(1-phenylethylideneamino)guanidine?
The canonical SMILES for 1,2,3-tris(1-phenylethylideneamino)guanidine is CC(=NN=C(NN=C(C)c1ccccc1)NN=C(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2,3-tris(1-phenylethylideneamino)guanidine?
The InChIKey is RXBDFPMHYLTZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c1-19(22-13-7-4-8-14-22)26-29-25(30-27-20(2)23-15-9-5-10-16-23)31-28-21(3)24-17-11-6-12-18-24/h4-18H,1-3H3,(H2,29,30,31).
What are the key properties of 1,2,3-tris(1-phenylethylideneamino)guanidine?
1,2,3-tris(1-phenylethylideneamino)guanidine has a molecular weight of 410.53 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(1-phenylethylideneamino)guanidine is sourced from PubChem (CID 5226187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).