1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine

C31H27N5 — CID 172918086

IUPAC1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine
SMILESNC(=N/N=C/C(=C/c1ccccc1)c1ccccc1)N/N=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C31H27N5/c32-31(35-33-23-29(27-17-9-3-10-18-27)21-25-13-5-1-6-14-25)36-34-24-30(28-19-11-4-12-20-28)22-26-15-7-2-8-16-26/h1-24H,(H3,32,35,36)/b29-21-,30-22-,33-23+,34-24+
InChIKeyVUDZRUMJQQFYLQ-UONFLDSWSA-N
MW469.59 g/mol
LogP6.34
Rot. Bonds8

About 1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine

1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine (PubChem CID 172918086) has the molecular formula C31H27N5 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine
PubChem CID172918086
Molecular FormulaC31H27N5
Molecular Weight469.59 g/mol
Exact Mass469.23
IUPAC Name1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine
SMILESNC(=N/N=C/C(=C/c1ccccc1)c1ccccc1)N/N=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C31H27N5/c32-31(35-33-23-29(27-17-9-3-10-18-27)21-25-13-5-1-6-14-25)36-34-24-30(28-19-11-4-12-20-28)22-26-15-7-2-8-16-26/h1-24H,(H3,32,35,36)/b29-21-,30-22-,33-23+,34-24+
InChIKeyVUDZRUMJQQFYLQ-UONFLDSWSA-N
XLogP6.34
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 56.34
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine (CID 172918086) is 1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine is NC(=N/N=C/C(=C/c1ccccc1)c1ccccc1)N/N=C/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine?
The InChIKey is VUDZRUMJQQFYLQ-UONFLDSWSA-N. The full InChI is InChI=1S/C31H27N5/c32-31(35-33-23-29(27-17-9-3-10-18-27)21-25-13-5-1-6-14-25)36-34-24-30(28-19-11-4-12-20-28)22-26-15-7-2-8-16-26/h1-24H,(H3,32,35,36)/b29-21-,30-22-,33-23+,34-24+.
What are the key properties of 1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine?
1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine has a molecular weight of 469.59 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 172918086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).