N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine

C30H27Cl2N5O — CID 14020610

IUPACN,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine
SMILESClc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CCN2CCOCC2)cc1
InChIInChI=1S/C30H27Cl2N5O/c31-21-5-9-23(10-6-21)34-27-19-28-30(20-26(27)33-13-14-36-15-17-38-18-16-36)37(24-11-7-22(32)8-12-24)29-4-2-1-3-25(29)35-28/h1-12,19-20,34H,13-18H2/b33-26+
InChIKeyZFOUAQOOTXQLMB-MHTZHOPKSA-N
MW544.49 g/mol
LogP6.41
Rot. Bonds6

About N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine

N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine (PubChem CID 14020610) has the molecular formula C30H27Cl2N5O and a molecular weight of 544.49 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine
PubChem CID14020610
Molecular FormulaC30H27Cl2N5O
Molecular Weight544.49 g/mol
Exact Mass543.16
IUPAC NameN,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine
SMILESClc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CCN2CCOCC2)cc1
InChIInChI=1S/C30H27Cl2N5O/c31-21-5-9-23(10-6-21)34-27-19-28-30(20-26(27)33-13-14-36-15-17-38-18-16-36)37(24-11-7-22(32)8-12-24)29-4-2-1-3-25(29)35-28/h1-12,19-20,34H,13-18H2/b33-26+
InChIKeyZFOUAQOOTXQLMB-MHTZHOPKSA-N
XLogP6.41
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.49
LogP ≤ 56.41
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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Related Compounds

Clofazimine
CID 2794
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9154082
B 749
CID 132669
(3E)-N-(4-chlorophenyl)-3-isopropylimino-5-phenyl-phenazin-2-amine
CID 456266
Unii-19moj78E62
CID 125273779
N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine
CID 164613907
5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-phenylphenazin-2-amine
CID 164624098
5-(4-chlorophenyl)-3-imino-N-phenyl-3,5-dihydrophenazin-2-amine
CID 167732684
N-(4-chlorophenyl)-5-(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine
CID 168279752
5-(4-chlorophenyl)-N-(4-fluorophenyl)-3-propan-2-yliminophenazin-2-amine
CID 168280577
5-(4-chlorophenyl)-N-(4-fluorophenyl)-3-propyliminophenazin-2-amine
CID 168281309
5-(4-chlorophenyl)-3-cyclopropylimino-N-(4-fluorophenyl)phenazin-2-amine
CID 168290316

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine?
The IUPAC name of N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine (CID 14020610) is N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine?
The canonical SMILES for N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine is Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CCN2CCOCC2)cc1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine?
The InChIKey is ZFOUAQOOTXQLMB-MHTZHOPKSA-N. The full InChI is InChI=1S/C30H27Cl2N5O/c31-21-5-9-23(10-6-21)34-27-19-28-30(20-26(27)33-13-14-36-15-17-38-18-16-36)37(24-11-7-22(32)8-12-24)29-4-2-1-3-25(29)35-28/h1-12,19-20,34H,13-18H2/b33-26+.
What are the key properties of N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine?
N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine has a molecular weight of 544.49 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)phenazin-2-amine is sourced from PubChem (CID 14020610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).