N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine

C29H27Cl2N5 — CID 164613907

IUPACN,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine
SMILESCN(C)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C29H27Cl2N5/c1-35(2)17-5-16-32-25-19-29-27(18-26(25)33-22-12-8-20(30)9-13-22)34-24-6-3-4-7-28(24)36(29)23-14-10-21(31)11-15-23/h3-4,6-15,18-19,33H,5,16-17H2,1-2H3/b32-25+
InChIKeyGMCOFYCSEUPXLB-WGPBWIAQSA-N
MW516.48 g/mol
LogP7.03
Rot. Bonds7

About N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine

N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine (PubChem CID 164613907) has the molecular formula C29H27Cl2N5 and a molecular weight of 516.48 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine
PubChem CID164613907
Molecular FormulaC29H27Cl2N5
Molecular Weight516.48 g/mol
Exact Mass515.16
IUPAC NameN,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine
SMILESCN(C)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C29H27Cl2N5/c1-35(2)17-5-16-32-25-19-29-27(18-26(25)33-22-12-8-20(30)9-13-22)34-24-6-3-4-7-28(24)36(29)23-14-10-21(31)11-15-23/h3-4,6-15,18-19,33H,5,16-17H2,1-2H3/b32-25+
InChIKeyGMCOFYCSEUPXLB-WGPBWIAQSA-N
XLogP7.03
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.48
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Clofazimine
CID 2794
(3Z)-N,5-diphenyl-3-propylimino-phenazin-2-amine
CID 473666
3-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylimino]-N,5-bis(4-chlorophenyl)phenazin-2-amine
CID 101879118
N,5-bis(4-chlorophenyl)-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylimino)phenazin-2-amine;hydrochloride
CID 118721489
N,5-bis(4-chlorophenyl)-3-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylimino]phenazin-2-amine;hydrochloride
CID 118721493
N,5-diphenyl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine;hydrochloride
CID 118721495
3-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethylimino]-N,5-bis(4-chlorophenyl)phenazin-2-amine
CID 118721741
3-[2-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethylimino]-N,5-bis(4-chlorophenyl)phenazin-2-amine
CID 118721744
3-[3-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]propylimino]-N,5-bis(4-chlorophenyl)phenazin-2-amine
CID 118721745
5-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-3-propan-2-yliminophenazin-2-amine
CID 168270980
B 749
CID 132669
Tetrahydro-2-(bis(2-chloroethyl)amino)-3-(isopropylmethyl)-2H-1,3,2-oxazaphosphorine 2-oxide
CID 473699

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine?
The IUPAC name of N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine (CID 164613907) is N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine?
The canonical SMILES for N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine is CN(C)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine?
The InChIKey is GMCOFYCSEUPXLB-WGPBWIAQSA-N. The full InChI is InChI=1S/C29H27Cl2N5/c1-35(2)17-5-16-32-25-19-29-27(18-26(25)33-22-12-8-20(30)9-13-22)34-24-6-3-4-7-28(24)36(29)23-14-10-21(31)11-15-23/h3-4,6-15,18-19,33H,5,16-17H2,1-2H3/b32-25+.
What are the key properties of N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine?
N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine has a molecular weight of 516.48 g/mol, XLogP of 7.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]phenazin-2-amine is sourced from PubChem (CID 164613907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).