[(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium

C32H26N5+ — CID 163936076

IUPAC[(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium
SMILES[NH2+]=N/C(=C\Nc1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C32H25N5/c33-35-28(24-11-3-1-4-12-24)23-34-25-19-21-27(22-20-25)37-31-17-9-7-15-29(31)36(26-13-5-2-6-14-26)30-16-8-10-18-32(30)37/h1-23,33-34H/p+1/b28-23-,35-33?
InChIKeyRMXNWHNSDUCMLK-AFJMRCDYSA-O
MW480.60 g/mol
LogP7.56
Rot. Bonds6

About [(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium

[(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium (PubChem CID 163936076) has the molecular formula C32H26N5+ and a molecular weight of 480.60 g/mol. Its IUPAC name is [(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium.

Molecular Properties

Compound Name[(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium
PubChem CID163936076
Molecular FormulaC32H26N5+
Molecular Weight480.60 g/mol
Exact Mass480.22
IUPAC Name[(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium
SMILES[NH2+]=N/C(=C\Nc1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C32H25N5/c33-35-28(24-11-3-1-4-12-24)23-34-25-19-21-27(22-20-25)37-31-17-9-7-15-29(31)36(26-13-5-2-6-14-26)30-16-8-10-18-32(30)37/h1-23,33-34H/p+1/b28-23-,35-33?
InChIKeyRMXNWHNSDUCMLK-AFJMRCDYSA-O
XLogP7.56
TPSA56.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 91320133
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CID 129722570
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CID 129722624
CID 129722624
CID 134863300
CID 134863300
CID 146170663
CID 146170663
CID 156598567
CID 156598567
CID 162401470
CID 162401470
CID 75481796
CID 75481796
CID 112470757
CID 112470757
CID 112470762
CID 112470762

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium?
The IUPAC name of [(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium (CID 163936076) is [(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium.
What is the SMILES notation for [(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium?
The canonical SMILES for [(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium is [NH2+]=N/C(=C\Nc1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc1)c1ccccc1.
What is the InChIKey of [(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium?
The InChIKey is RMXNWHNSDUCMLK-AFJMRCDYSA-O. The full InChI is InChI=1S/C32H25N5/c33-35-28(24-11-3-1-4-12-24)23-34-25-19-21-27(22-20-25)37-31-17-9-7-15-29(31)36(26-13-5-2-6-14-26)30-16-8-10-18-32(30)37/h1-23,33-34H/p+1/b28-23-,35-33?.
What are the key properties of [(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium?
[(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium has a molecular weight of 480.60 g/mol, XLogP of 7.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenyl-2-[4-(10-phenylphenazin-5-yl)anilino]ethenyl]iminoazanium is sourced from PubChem (CID 163936076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).