5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine

C30H28ClN5 — CID 66805676

IUPAC5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
SMILESCc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C1CCCCC1
InChIInChI=1S/C30H28ClN5/c1-20-24(11-7-17-32-20)34-26-18-28-30(19-27(26)33-22-8-3-2-4-9-22)36(23-15-13-21(31)14-16-23)29-12-6-5-10-25(29)35-28/h5-7,10-19,22,34H,2-4,8-9H2,1H3/b33-27+
InChIKeyAEMRBIWKZNQCNZ-MUGXBBEHSA-N
MW494.04 g/mol
LogP7.46
Rot. Bonds4

About 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine

5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine (PubChem CID 66805676) has the molecular formula C30H28ClN5 and a molecular weight of 494.04 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
PubChem CID66805676
Molecular FormulaC30H28ClN5
Molecular Weight494.04 g/mol
Exact Mass493.20
IUPAC Name5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
SMILESCc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C1CCCCC1
InChIInChI=1S/C30H28ClN5/c1-20-24(11-7-17-32-20)34-26-18-28-30(19-27(26)33-22-8-3-2-4-9-22)36(23-15-13-21(31)14-16-23)29-12-6-5-10-25(29)35-28/h5-7,10-19,22,34H,2-4,8-9H2,1H3/b33-27+
InChIKeyAEMRBIWKZNQCNZ-MUGXBBEHSA-N
XLogP7.46
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.04
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine 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 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine (CID 66805676) is 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine is Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C1CCCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
The InChIKey is AEMRBIWKZNQCNZ-MUGXBBEHSA-N. The full InChI is InChI=1S/C30H28ClN5/c1-20-24(11-7-17-32-20)34-26-18-28-30(19-27(26)33-22-8-3-2-4-9-22)36(23-15-13-21(31)14-16-23)29-12-6-5-10-25(29)35-28/h5-7,10-19,22,34H,2-4,8-9H2,1H3/b33-27+.
What are the key properties of 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine has a molecular weight of 494.04 g/mol, XLogP of 7.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 66805676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).