N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine

C31H27Cl4N5 — CID 25254484

IUPACN,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
SMILESClc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)c(Cl)c4)c-3c/c2=N\CCCN2CCCC2)cc1Cl
InChIInChI=1S/C31H27Cl4N5/c32-22-10-8-20(16-24(22)34)37-28-18-29-31(19-27(28)36-12-5-15-39-13-3-4-14-39)40(21-9-11-23(33)25(35)17-21)30-7-2-1-6-26(30)38-29/h1-2,6-11,16-19,37H,3-5,12-15H2/b36-27+
InChIKeyQVOLVMVDRIOADZ-KJFHWCLQSA-N
MW611.40 g/mol
LogP8.87
Rot. Bonds7

About N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine

N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine (PubChem CID 25254484) has the molecular formula C31H27Cl4N5 and a molecular weight of 611.40 g/mol. Its IUPAC name is N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine.

Molecular Properties

Compound NameN,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
PubChem CID25254484
Molecular FormulaC31H27Cl4N5
Molecular Weight611.40 g/mol
Exact Mass609.10
IUPAC NameN,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
SMILESClc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)c(Cl)c4)c-3c/c2=N\CCCN2CCCC2)cc1Cl
InChIInChI=1S/C31H27Cl4N5/c32-22-10-8-20(16-24(22)34)37-28-18-29-31(19-27(28)36-12-5-15-39-13-3-4-14-39)40(21-9-11-23(33)25(35)17-21)30-7-2-1-6-26(30)38-29/h1-2,6-11,16-19,37H,3-5,12-15H2/b36-27+
InChIKeyQVOLVMVDRIOADZ-KJFHWCLQSA-N
XLogP8.87
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.40
LogP ≤ 58.87
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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Frequently Asked Questions

What is the IUPAC name of N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine?
The IUPAC name of N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine (CID 25254484) is N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine.
What is the SMILES notation for N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine?
The canonical SMILES for N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine is Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)c(Cl)c4)c-3c/c2=N\CCCN2CCCC2)cc1Cl.
What is the InChIKey of N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine?
The InChIKey is QVOLVMVDRIOADZ-KJFHWCLQSA-N. The full InChI is InChI=1S/C31H27Cl4N5/c32-22-10-8-20(16-24(22)34)37-28-18-29-31(19-27(28)36-12-5-15-39-13-3-4-14-39)40(21-9-11-23(33)25(35)17-21)30-7-2-1-6-26(30)38-29/h1-2,6-11,16-19,37H,3-5,12-15H2/b36-27+.
What are the key properties of N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine?
N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine has a molecular weight of 611.40 g/mol, XLogP of 8.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine is sourced from PubChem (CID 25254484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).