diphenyldiazene;1,4,8,11-tetrazacyclotetradecane

C22H34N6 — CID 18938641

IUPACdiphenyldiazene;1,4,8,11-tetrazacyclotetradecane
SMILESC1CNCCNCCCNCCNC1.c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2.C10H24N4/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h1-10H;11-14H,1-10H2/b14-13+;
InChIKeyIEKAFVQIRRPJKX-IERUDJENSA-N
MW382.56 g/mol
LogP3.24
Rot. Bonds2

About diphenyldiazene;1,4,8,11-tetrazacyclotetradecane

diphenyldiazene;1,4,8,11-tetrazacyclotetradecane (PubChem CID 18938641) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is diphenyldiazene;1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Namediphenyldiazene;1,4,8,11-tetrazacyclotetradecane
PubChem CID18938641
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Namediphenyldiazene;1,4,8,11-tetrazacyclotetradecane
SMILESC1CNCCNCCCNCCNC1.c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2.C10H24N4/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h1-10H;11-14H,1-10H2/b14-13+;
InChIKeyIEKAFVQIRRPJKX-IERUDJENSA-N
XLogP3.24
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyldiazene;1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of diphenyldiazene;1,4,8,11-tetrazacyclotetradecane (CID 18938641) is diphenyldiazene;1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for diphenyldiazene;1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for diphenyldiazene;1,4,8,11-tetrazacyclotetradecane is C1CNCCNCCCNCCNC1.c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of diphenyldiazene;1,4,8,11-tetrazacyclotetradecane?
The InChIKey is IEKAFVQIRRPJKX-IERUDJENSA-N. The full InChI is InChI=1S/C12H10N2.C10H24N4/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h1-10H;11-14H,1-10H2/b14-13+;.
What are the key properties of diphenyldiazene;1,4,8,11-tetrazacyclotetradecane?
diphenyldiazene;1,4,8,11-tetrazacyclotetradecane has a molecular weight of 382.56 g/mol, XLogP of 3.24, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyldiazene;1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 18938641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).