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

C31H29Cl2N5O — CID 14020622

IUPACN,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine
SMILESClc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CCCN2CCOCC2)cc1
InChIInChI=1S/C31H29Cl2N5O/c32-22-6-10-24(11-7-22)35-28-20-29-31(21-27(28)34-14-3-15-37-16-18-39-19-17-37)38(25-12-8-23(33)9-13-25)30-5-2-1-4-26(30)36-29/h1-2,4-13,20-21,35H,3,14-19H2/b34-27+
InChIKeyNHEIBPZLMDVOND-DNGXXSEMSA-N
MW558.51 g/mol
LogP6.80
Rot. Bonds7

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

N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine (PubChem CID 14020622) has the molecular formula C31H29Cl2N5O and a molecular weight of 558.51 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine
PubChem CID14020622
Molecular FormulaC31H29Cl2N5O
Molecular Weight558.51 g/mol
Exact Mass557.17
IUPAC NameN,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine
SMILESClc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CCCN2CCOCC2)cc1
InChIInChI=1S/C31H29Cl2N5O/c32-22-6-10-24(11-7-22)35-28-20-29-31(21-27(28)34-14-3-15-37-16-18-39-19-17-37)38(25-12-8-23(33)9-13-25)30-5-2-1-4-26(30)36-29/h1-2,4-13,20-21,35H,3,14-19H2/b34-27+
InChIKeyNHEIBPZLMDVOND-DNGXXSEMSA-N
XLogP6.80
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.51
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine?
The IUPAC name of N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine (CID 14020622) is N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine?
The canonical SMILES for N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine is Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CCCN2CCOCC2)cc1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine?
The InChIKey is NHEIBPZLMDVOND-DNGXXSEMSA-N. The full InChI is InChI=1S/C31H29Cl2N5O/c32-22-6-10-24(11-7-22)35-28-20-29-31(21-27(28)34-14-3-15-37-16-18-39-19-17-37)38(25-12-8-23(33)9-13-25)30-5-2-1-4-26(30)36-29/h1-2,4-13,20-21,35H,3,14-19H2/b34-27+.
What are the key properties of N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine?
N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine has a molecular weight of 558.51 g/mol, XLogP of 6.80, 7 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-(3-morpholin-4-ylpropylimino)phenazin-2-amine is sourced from PubChem (CID 14020622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).