5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine

C29H28ClN5 — CID 164624098

IUPAC5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine
SMILESCN(C)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccccc1
InChIInChI=1S/C29H28ClN5/c1-34(2)18-8-17-31-25-20-29-27(19-26(25)32-22-9-4-3-5-10-22)33-24-11-6-7-12-28(24)35(29)23-15-13-21(30)14-16-23/h3-7,9-16,19-20,32H,8,17-18H2,1-2H3/b31-25+
InChIKeyXLEPBKDFSWKRON-QCKNELIISA-N
MW482.03 g/mol
LogP6.38
Rot. Bonds7

About 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine

5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine (PubChem CID 164624098) has the molecular formula C29H28ClN5 and a molecular weight of 482.03 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine
PubChem CID164624098
Molecular FormulaC29H28ClN5
Molecular Weight482.03 g/mol
Exact Mass481.20
IUPAC Name5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine
SMILESCN(C)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccccc1
InChIInChI=1S/C29H28ClN5/c1-34(2)18-8-17-31-25-20-29-27(19-26(25)32-22-9-4-3-5-10-22)33-24-11-6-7-12-28(24)35(29)23-15-13-21(30)14-16-23/h3-7,9-16,19-20,32H,8,17-18H2,1-2H3/b31-25+
InChIKeyXLEPBKDFSWKRON-QCKNELIISA-N
XLogP6.38
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.03
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine (CID 164624098) is 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine is CN(C)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine?
The InChIKey is XLEPBKDFSWKRON-QCKNELIISA-N. The full InChI is InChI=1S/C29H28ClN5/c1-34(2)18-8-17-31-25-20-29-27(19-26(25)32-22-9-4-3-5-10-22)33-24-11-6-7-12-28(24)35(29)23-15-13-21(30)14-16-23/h3-7,9-16,19-20,32H,8,17-18H2,1-2H3/b31-25+.
What are the key properties of 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine?
5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine has a molecular weight of 482.03 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine is sourced from PubChem (CID 164624098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).