1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine

C27H23N5 — CID 172918084

IUPAC1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine
SMILESNC(=N/N=C/c1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H23N5/c28-27(31-29-19-21-11-15-25(16-12-21)23-7-3-1-4-8-23)32-30-20-22-13-17-26(18-14-22)24-9-5-2-6-10-24/h1-20H,(H3,28,31,32)/b29-19+,30-20+
InChIKeyGICFCPQYLVYLFS-CZYCKNNWSA-N
MW417.52 g/mol
LogP5.29
Rot. Bonds6

About 1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine

1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine (PubChem CID 172918084) has the molecular formula C27H23N5 and a molecular weight of 417.52 g/mol. Its IUPAC name is 1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine
PubChem CID172918084
Molecular FormulaC27H23N5
Molecular Weight417.52 g/mol
Exact Mass417.20
IUPAC Name1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine
SMILESNC(=N/N=C/c1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H23N5/c28-27(31-29-19-21-11-15-25(16-12-21)23-7-3-1-4-8-23)32-30-20-22-13-17-26(18-14-22)24-9-5-2-6-10-24/h1-20H,(H3,28,31,32)/b29-19+,30-20+
InChIKeyGICFCPQYLVYLFS-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)-(4-phenylphenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine (CID 172918084) is 1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine is NC(=N/N=C/c1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine?
The InChIKey is GICFCPQYLVYLFS-CZYCKNNWSA-N. The full InChI is InChI=1S/C27H23N5/c28-27(31-29-19-21-11-15-25(16-12-21)23-7-3-1-4-8-23)32-30-20-22-13-17-26(18-14-22)24-9-5-2-6-10-24/h1-20H,(H3,28,31,32)/b29-19+,30-20+.
What are the key properties of 1,2-bis[(E)-(4-phenylphenyl)methylideneamino]guanidine?
1,2-bis[(E)-(4-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)-(4-phenylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 172918084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).