bis(dimethyldiazene);ethane;naphthalene;propane

C48H74N4 — CID 162213111

IUPACbis(dimethyldiazene);ethane;naphthalene;propane
SMILESC/N=N/C.C/N=N/C.CC.CCC.CCC.CCC.CCC.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/3C10H8.4C3H8.2C2H6N2.C2H6/c3*1-2-6-10-8-4-3-7-9(10)5-1;4*1-3-2;2*1-3-4-2;1-2/h3*1-8H;4*3H2,1-2H3;2*1-2H3;1-2H3/b;;;;;;;2*4-3+;
InChIKeyZTCQJNXOLWTOBC-FNUKUIEWSA-N
MW707.15 g/mol
LogP16.61
Rot. Bonds

About bis(dimethyldiazene);ethane;naphthalene;propane

bis(dimethyldiazene);ethane;naphthalene;propane (PubChem CID 162213111) has the molecular formula C48H74N4 and a molecular weight of 707.15 g/mol. Its IUPAC name is bis(dimethyldiazene);ethane;naphthalene;propane.

Molecular Properties

Compound Namebis(dimethyldiazene);ethane;naphthalene;propane
PubChem CID162213111
Molecular FormulaC48H74N4
Molecular Weight707.15 g/mol
Exact Mass706.59
IUPAC Namebis(dimethyldiazene);ethane;naphthalene;propane
SMILESC/N=N/C.C/N=N/C.CC.CCC.CCC.CCC.CCC.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/3C10H8.4C3H8.2C2H6N2.C2H6/c3*1-2-6-10-8-4-3-7-9(10)5-1;4*1-3-2;2*1-3-4-2;1-2/h3*1-8H;4*3H2,1-2H3;2*1-2H3;1-2H3/b;;;;;;;2*4-3+;
InChIKeyZTCQJNXOLWTOBC-FNUKUIEWSA-N
XLogP16.61
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.15
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(dimethyldiazene);ethane;naphthalene;propane?
The IUPAC name of bis(dimethyldiazene);ethane;naphthalene;propane (CID 162213111) is bis(dimethyldiazene);ethane;naphthalene;propane.
What is the SMILES notation for bis(dimethyldiazene);ethane;naphthalene;propane?
The canonical SMILES for bis(dimethyldiazene);ethane;naphthalene;propane is C/N=N/C.C/N=N/C.CC.CCC.CCC.CCC.CCC.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of bis(dimethyldiazene);ethane;naphthalene;propane?
The InChIKey is ZTCQJNXOLWTOBC-FNUKUIEWSA-N. The full InChI is InChI=1S/3C10H8.4C3H8.2C2H6N2.C2H6/c3*1-2-6-10-8-4-3-7-9(10)5-1;4*1-3-2;2*1-3-4-2;1-2/h3*1-8H;4*3H2,1-2H3;2*1-2H3;1-2H3/b;;;;;;;2*4-3+;.
What are the key properties of bis(dimethyldiazene);ethane;naphthalene;propane?
bis(dimethyldiazene);ethane;naphthalene;propane has a molecular weight of 707.15 g/mol, XLogP of 16.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyldiazene);ethane;naphthalene;propane is sourced from PubChem (CID 162213111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).