phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene

C22H21N5 — CID 19011238

IUPACphenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
SMILESc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1
InChIInChI=1S/C22H21N5/c1-2-6-18(7-3-1)23-24-19-8-10-20(11-9-19)25-26-21-12-14-22(15-13-21)27-16-4-5-17-27/h1-3,6-15H,4-5,16-17H2/b24-23+,26-25+
InChIKeyZLQVGMXVDIJGCE-QSZPNPOGSA-N
MW355.45 g/mol
LogP7.12
Rot. Bonds5

About phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene

phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene (PubChem CID 19011238) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene.

Molecular Properties

Compound Namephenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
PubChem CID19011238
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Namephenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
SMILESc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1
InChIInChI=1S/C22H21N5/c1-2-6-18(7-3-1)23-24-19-8-10-20(11-9-19)25-26-21-12-14-22(15-13-21)27-16-4-5-17-27/h1-3,6-15H,4-5,16-17H2/b24-23+,26-25+
InChIKeyZLQVGMXVDIJGCE-QSZPNPOGSA-N
XLogP7.12
TPSA52.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoic acid
CID 129101829
(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 71324632
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 5152218
bis(4-piperazin-1-ylphenyl)diazene
CID 25170712
1-(4-nitrosophenyl)piperidine
CID 88954522
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
ethane;methanol;1-phenylpiperidine
CID 177175072
1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine
CID 167106796
(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 88875102
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene?
The IUPAC name of phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene (CID 19011238) is phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene.
What is the SMILES notation for phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene?
The canonical SMILES for phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene is c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1.
What is the InChIKey of phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene?
The InChIKey is ZLQVGMXVDIJGCE-QSZPNPOGSA-N. The full InChI is InChI=1S/C22H21N5/c1-2-6-18(7-3-1)23-24-19-8-10-20(11-9-19)25-26-21-12-14-22(15-13-21)27-16-4-5-17-27/h1-3,6-15H,4-5,16-17H2/b24-23+,26-25+.
What are the key properties of phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene?
phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene has a molecular weight of 355.45 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene is sourced from PubChem (CID 19011238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).