2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol

C28H24Cl2N4O — CID 14020607

IUPAC2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol
SMILESCCC(CO)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C28H24Cl2N4O/c1-2-20(17-35)31-25-16-28-26(15-24(25)32-21-11-7-18(29)8-12-21)33-23-5-3-4-6-27(23)34(28)22-13-9-19(30)10-14-22/h3-16,20,32,35H,2,17H2,1H3/b31-25+
InChIKeyLOFIVSICKDEZAK-QCKNELIISA-N
MW503.43 g/mol
LogP6.85
Rot. Bonds6

About 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol

2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol (PubChem CID 14020607) has the molecular formula C28H24Cl2N4O and a molecular weight of 503.43 g/mol. Its IUPAC name is 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol
PubChem CID14020607
Molecular FormulaC28H24Cl2N4O
Molecular Weight503.43 g/mol
Exact Mass502.13
IUPAC Name2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol
SMILESCCC(CO)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C28H24Cl2N4O/c1-2-20(17-35)31-25-16-28-26(15-24(25)32-21-11-7-18(29)8-12-21)33-23-5-3-4-6-27(23)34(28)22-13-9-19(30)10-14-22/h3-16,20,32,35H,2,17H2,1H3/b31-25+
InChIKeyLOFIVSICKDEZAK-QCKNELIISA-N
XLogP6.85
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.43
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol?
The IUPAC name of 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol (CID 14020607) is 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol is CCC(CO)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol?
The InChIKey is LOFIVSICKDEZAK-QCKNELIISA-N. The full InChI is InChI=1S/C28H24Cl2N4O/c1-2-20(17-35)31-25-16-28-26(15-24(25)32-21-11-7-18(29)8-12-21)33-23-5-3-4-6-27(23)34(28)22-13-9-19(30)10-14-22/h3-16,20,32,35H,2,17H2,1H3/b31-25+.
What are the key properties of 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol?
2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol has a molecular weight of 503.43 g/mol, XLogP of 6.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]butan-1-ol is sourced from PubChem (CID 14020607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).