3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine

C31H31N5 — CID 14020638

IUPAC3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine
SMILESCCN1CCCC1C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1
InChIInChI=1S/C31H31N5/c1-2-35-19-11-16-25(35)22-32-27-21-31-29(20-28(27)33-23-12-5-3-6-13-23)34-26-17-9-10-18-30(26)36(31)24-14-7-4-8-15-24/h3-10,12-15,17-18,20-21,25,33H,2,11,16,19,22H2,1H3/b32-27+
InChIKeyDZFVFGGZJZYPHO-QVAGMWBUSA-N
MW473.62 g/mol
LogP6.26
Rot. Bonds6

About 3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine

3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine (PubChem CID 14020638) has the molecular formula C31H31N5 and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine
PubChem CID14020638
Molecular FormulaC31H31N5
Molecular Weight473.62 g/mol
Exact Mass473.26
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine
SMILESCCN1CCCC1C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1
InChIInChI=1S/C31H31N5/c1-2-35-19-11-16-25(35)22-32-27-21-31-29(20-28(27)33-23-12-5-3-6-13-23)34-26-17-9-10-18-30(26)36(31)24-14-7-4-8-15-24/h3-10,12-15,17-18,20-21,25,33H,2,11,16,19,22H2,1H3/b32-27+
InChIKeyDZFVFGGZJZYPHO-QVAGMWBUSA-N
XLogP6.26
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine (CID 14020638) is 3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine is CCN1CCCC1C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine?
The InChIKey is DZFVFGGZJZYPHO-QVAGMWBUSA-N. The full InChI is InChI=1S/C31H31N5/c1-2-35-19-11-16-25(35)22-32-27-21-31-29(20-28(27)33-23-12-5-3-6-13-23)34-26-17-9-10-18-30(26)36(31)24-14-7-4-8-15-24/h3-10,12-15,17-18,20-21,25,33H,2,11,16,19,22H2,1H3/b32-27+.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine?
3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine has a molecular weight of 473.62 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine is sourced from PubChem (CID 14020638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).