[(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium

C23H34N4+2 — CID 6380651

IUPAC[(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium
SMILESC[N+](C)(C)/N=C(\CCC/C(=N\[N+](C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H34N4/c1-26(2,3)24-22(20-14-9-7-10-15-20)18-13-19-23(25-27(4,5)6)21-16-11-8-12-17-21/h7-12,14-17H,13,18-19H2,1-6H3/q+2/b24-22+,25-23+
InChIKeySXYPCUIYGVGESV-BQASJOSNSA-N
MW366.55 g/mol
LogP4.38
Rot. Bonds8

About [(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium

[(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium (PubChem CID 6380651) has the molecular formula C23H34N4+2 and a molecular weight of 366.55 g/mol. Its IUPAC name is [(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium.

Molecular Properties

Compound Name[(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium
PubChem CID6380651
Molecular FormulaC23H34N4+2
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC Name[(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium
SMILESC[N+](C)(C)/N=C(\CCC/C(=N\[N+](C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H34N4/c1-26(2,3)24-22(20-14-9-7-10-15-20)18-13-19-23(25-27(4,5)6)21-16-11-8-12-17-21/h7-12,14-17H,13,18-19H2,1-6H3/q+2/b24-22+,25-23+
InChIKeySXYPCUIYGVGESV-BQASJOSNSA-N
XLogP4.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium?
The IUPAC name of [(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium (CID 6380651) is [(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium.
What is the SMILES notation for [(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium?
The canonical SMILES for [(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium is C[N+](C)(C)/N=C(\CCC/C(=N\[N+](C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium?
The InChIKey is SXYPCUIYGVGESV-BQASJOSNSA-N. The full InChI is InChI=1S/C23H34N4/c1-26(2,3)24-22(20-14-9-7-10-15-20)18-13-19-23(25-27(4,5)6)21-16-11-8-12-17-21/h7-12,14-17H,13,18-19H2,1-6H3/q+2/b24-22+,25-23+.
What are the key properties of [(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium?
[(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium has a molecular weight of 366.55 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium is sourced from PubChem (CID 6380651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).