5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine

C32H32ClN5O — CID 66805872

IUPAC5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4cc(C)ccc4nc-3cc2Nc2ccc(C)nc2)CC1
InChIInChI=1S/C32H32ClN5O/c1-20-4-15-27-31(16-20)38(25-11-6-22(33)7-12-25)32-18-29(35-23-9-13-26(39-3)14-10-23)28(17-30(32)37-27)36-24-8-5-21(2)34-19-24/h4-8,11-12,15-19,23,26,36H,9-10,13-14H2,1-3H3/b35-29+
InChIKeyVBKMSZJBJYHCDF-OZMGXUMRSA-N
MW538.10 g/mol
LogP7.40
Rot. Bonds5

About 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine

5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine (PubChem CID 66805872) has the molecular formula C32H32ClN5O and a molecular weight of 538.10 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine
PubChem CID66805872
Molecular FormulaC32H32ClN5O
Molecular Weight538.10 g/mol
Exact Mass537.23
IUPAC Name5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4cc(C)ccc4nc-3cc2Nc2ccc(C)nc2)CC1
InChIInChI=1S/C32H32ClN5O/c1-20-4-15-27-31(16-20)38(25-11-6-22(33)7-12-25)32-18-29(35-23-9-13-26(39-3)14-10-23)28(17-30(32)37-27)36-24-8-5-21(2)34-19-24/h4-8,11-12,15-19,23,26,36H,9-10,13-14H2,1-3H3/b35-29+
InChIKeyVBKMSZJBJYHCDF-OZMGXUMRSA-N
XLogP7.40
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.10
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine (CID 66805872) is 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine is COC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4cc(C)ccc4nc-3cc2Nc2ccc(C)nc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
The InChIKey is VBKMSZJBJYHCDF-OZMGXUMRSA-N. The full InChI is InChI=1S/C32H32ClN5O/c1-20-4-15-27-31(16-20)38(25-11-6-22(33)7-12-25)32-18-29(35-23-9-13-26(39-3)14-10-23)28(17-30(32)37-27)36-24-8-5-21(2)34-19-24/h4-8,11-12,15-19,23,26,36H,9-10,13-14H2,1-3H3/b35-29+.
What are the key properties of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine has a molecular weight of 538.10 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 66805872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).