1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine

C27H23N5 — CID 86279064

IUPAC1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccccc1-c1ccccc1)N/N=C/c1ccccc1-c1ccccc1
InChIInChI=1S/C27H23N5/c28-27(31-29-19-23-15-7-9-17-25(23)21-11-3-1-4-12-21)32-30-20-24-16-8-10-18-26(24)22-13-5-2-6-14-22/h1-20H,(H3,28,31,32)/b29-19+,30-20+
InChIKeyZELPSSMOLYOVOF-CZYCKNNWSA-N
MW417.52 g/mol
LogP5.29
Rot. Bonds6

About 1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine

1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine (PubChem CID 86279064) has the molecular formula C27H23N5 and a molecular weight of 417.52 g/mol. Its IUPAC name is 1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine
PubChem CID86279064
Molecular FormulaC27H23N5
Molecular Weight417.52 g/mol
Exact Mass417.20
IUPAC Name1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccccc1-c1ccccc1)N/N=C/c1ccccc1-c1ccccc1
InChIInChI=1S/C27H23N5/c28-27(31-29-19-23-15-7-9-17-25(23)21-11-3-1-4-12-21)32-30-20-24-16-8-10-18-26(24)22-13-5-2-6-14-22/h1-20H,(H3,28,31,32)/b29-19+,30-20+
InChIKeyZELPSSMOLYOVOF-CZYCKNNWSA-N
XLogP5.29
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 55.29
H-Bond Donors ≤ 52
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 1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine (CID 86279064) is 1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine is N/C(=N\N=C\c1ccccc1-c1ccccc1)N/N=C/c1ccccc1-c1ccccc1.
What is the InChIKey of 1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine?
The InChIKey is ZELPSSMOLYOVOF-CZYCKNNWSA-N. The full InChI is InChI=1S/C27H23N5/c28-27(31-29-19-23-15-7-9-17-25(23)21-11-3-1-4-12-21)32-30-20-24-16-8-10-18-26(24)22-13-5-2-6-14-22/h1-20H,(H3,28,31,32)/b29-19+,30-20+.
What are the key properties of 1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine?
1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine has a molecular weight of 417.52 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-(2-phenylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 86279064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).