5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine

C32H32ClN5O — CID 137060963

IUPAC5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine
SMILESCC=C1C=CC(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCC(OC)CC2)=CN1
InChIInChI=1S/C32H32ClN5O/c1-3-22-10-11-24(20-34-22)36-28-18-30-32(19-29(28)35-23-12-16-26(39-2)17-13-23)38(25-14-8-21(33)9-15-25)31-7-5-4-6-27(31)37-30/h3-11,14-15,18-20,23,26,34,36H,12-13,16-17H2,1-2H3/b22-3?,35-29+
InChIKeyIXEQBTJAGXSDEO-UBTASJFYSA-N
MW538.10 g/mol
LogP6.96
Rot. Bonds5

About 5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine

5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine (PubChem CID 137060963) has the molecular formula C32H32ClN5O and a molecular weight of 538.10 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine
PubChem CID137060963
Molecular FormulaC32H32ClN5O
Molecular Weight538.10 g/mol
Exact Mass537.23
IUPAC Name5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine
SMILESCC=C1C=CC(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCC(OC)CC2)=CN1
InChIInChI=1S/C32H32ClN5O/c1-3-22-10-11-24(20-34-22)36-28-18-30-32(19-29(28)35-23-12-16-26(39-2)17-13-23)38(25-14-8-21(33)9-15-25)31-7-5-4-6-27(31)37-30/h3-11,14-15,18-20,23,26,34,36H,12-13,16-17H2,1-2H3/b22-3?,35-29+
InChIKeyIXEQBTJAGXSDEO-UBTASJFYSA-N
XLogP6.96
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.10
LogP ≤ 56.96
H-Bond Donors ≤ 52
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)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine (CID 137060963) is 5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine is CC=C1C=CC(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCC(OC)CC2)=CN1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine?
The InChIKey is IXEQBTJAGXSDEO-UBTASJFYSA-N. The full InChI is InChI=1S/C32H32ClN5O/c1-3-22-10-11-24(20-34-22)36-28-18-30-32(19-29(28)35-23-12-16-26(39-2)17-13-23)38(25-14-8-21(33)9-15-25)31-7-5-4-6-27(31)37-30/h3-11,14-15,18-20,23,26,34,36H,12-13,16-17H2,1-2H3/b22-3?,35-29+.
What are the key properties of 5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine?
5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine has a molecular weight of 538.10 g/mol, XLogP of 6.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(6-ethylidene-1H-pyridin-3-yl)-3-(4-methoxycyclohexyl)iminophenazin-2-amine is sourced from PubChem (CID 137060963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).