10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine

C31H26Cl4N4S — CID 25254962

IUPAC10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine
SMILESClc1ccc(Sc2cc3nc4ccccc4n(-c4ccc(Cl)c(Cl)c4)c-3c/c2=N/CCCN2CCCC2)cc1Cl
InChIInChI=1S/C31H26Cl4N4S/c32-22-10-8-20(16-24(22)34)39-29-7-2-1-6-26(29)37-27-19-31(40-21-9-11-23(33)25(35)17-21)28(18-30(27)39)36-12-5-15-38-13-3-4-14-38/h1-2,6-11,16-19H,3-5,12-15H2/b36-28-
InChIKeyLOFUSRVYLSEUPM-DKJXEYTPSA-N
MW628.46 g/mol
LogP9.28
Rot. Bonds7

About 10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine

10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine (PubChem CID 25254962) has the molecular formula C31H26Cl4N4S and a molecular weight of 628.46 g/mol. Its IUPAC name is 10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine.

Molecular Properties

Compound Name10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine
PubChem CID25254962
Molecular FormulaC31H26Cl4N4S
Molecular Weight628.46 g/mol
Exact Mass626.06
IUPAC Name10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine
SMILESClc1ccc(Sc2cc3nc4ccccc4n(-c4ccc(Cl)c(Cl)c4)c-3c/c2=N/CCCN2CCCC2)cc1Cl
InChIInChI=1S/C31H26Cl4N4S/c32-22-10-8-20(16-24(22)34)39-29-7-2-1-6-26(29)37-27-19-31(40-21-9-11-23(33)25(35)17-21)28(18-30(27)39)36-12-5-15-38-13-3-4-14-38/h1-2,6-11,16-19H,3-5,12-15H2/b36-28-
InChIKeyLOFUSRVYLSEUPM-DKJXEYTPSA-N
XLogP9.28
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.46
LogP ≤ 59.28
H-Bond Donors ≤ 50
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

N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
CID 25254484
N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine
CID 14020622
N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine
CID 635889
N,5-bis(3-chloro-4-fluorophenyl)-3-[6-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)hexylimino]phenazin-2-amine;hydrochloride
CID 118721508
5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
CID 66805955
N,5-bis(4-chlorophenyl)-3-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylimino]phenazin-2-amine
CID 118721494
3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805850
3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine
CID 14020653
5-(3,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805579
2-[2-[(3-anilino-10-phenylphenazin-2-ylidene)amino]ethyl]guanidine
CID 71616573
N-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-ylethylimino)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
CID 66805968
5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine
CID 164620749

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine?
The IUPAC name of 10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine (CID 25254962) is 10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine.
What is the SMILES notation for 10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine?
The canonical SMILES for 10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine is Clc1ccc(Sc2cc3nc4ccccc4n(-c4ccc(Cl)c(Cl)c4)c-3c/c2=N/CCCN2CCCC2)cc1Cl.
What is the InChIKey of 10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine?
The InChIKey is LOFUSRVYLSEUPM-DKJXEYTPSA-N. The full InChI is InChI=1S/C31H26Cl4N4S/c32-22-10-8-20(16-24(22)34)39-29-7-2-1-6-26(29)37-27-19-31(40-21-9-11-23(33)25(35)17-21)28(18-30(27)39)36-12-5-15-38-13-3-4-14-38/h1-2,6-11,16-19H,3-5,12-15H2/b36-28-.
What are the key properties of 10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine?
10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine has a molecular weight of 628.46 g/mol, XLogP of 9.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dichlorophenyl)-3-(3,4-dichlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)phenazin-2-imine is sourced from PubChem (CID 25254962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).