ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene

C36H48N4 — CID 91607155

IUPACethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
SMILESCC.CC.CC.CC.CC.c1ccc(/N=N/c2ccc(/N=N/c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C26H18N4.5C2H6/c1-2-11-20(12-3-1)27-28-25-17-18-26(23-15-7-6-14-22(23)25)30-29-24-16-8-10-19-9-4-5-13-21(19)24;5*1-2/h1-18H;5*1-2H3/b28-27+,30-29+;;;;;
InChIKeyMPRKMKQLGJKVFS-HAISIYGASA-N
MW536.81 g/mol
LogP13.95
Rot. Bonds4

About ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene

ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene (PubChem CID 91607155) has the molecular formula C36H48N4 and a molecular weight of 536.81 g/mol. Its IUPAC name is ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene.

Molecular Properties

Compound Nameethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
PubChem CID91607155
Molecular FormulaC36H48N4
Molecular Weight536.81 g/mol
Exact Mass536.39
IUPAC Nameethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
SMILESCC.CC.CC.CC.CC.c1ccc(/N=N/c2ccc(/N=N/c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C26H18N4.5C2H6/c1-2-11-20(12-3-1)27-28-25-17-18-26(23-15-7-6-14-22(23)25)30-29-24-16-8-10-19-9-4-5-13-21(19)24;5*1-2/h1-18H;5*1-2H3/b28-27+,30-29+;;;;;
InChIKeyMPRKMKQLGJKVFS-HAISIYGASA-N
XLogP13.95
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.81
LogP ≤ 513.95
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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Frequently Asked Questions

What is the IUPAC name of ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene?
The IUPAC name of ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene (CID 91607155) is ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene.
What is the SMILES notation for ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene?
The canonical SMILES for ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene is CC.CC.CC.CC.CC.c1ccc(/N=N/c2ccc(/N=N/c3cccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene?
The InChIKey is MPRKMKQLGJKVFS-HAISIYGASA-N. The full InChI is InChI=1S/C26H18N4.5C2H6/c1-2-11-20(12-3-1)27-28-25-17-18-26(23-15-7-6-14-22(23)25)30-29-24-16-8-10-19-9-4-5-13-21(19)24;5*1-2/h1-18H;5*1-2H3/b28-27+,30-29+;;;;;.
What are the key properties of ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene?
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene has a molecular weight of 536.81 g/mol, XLogP of 13.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene is sourced from PubChem (CID 91607155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).