naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene

C42H28N4 — CID 72565674

IUPACnaphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene
SMILESC(=Cc1ccc2cc(/N=N/c3ccc4ccccc4c3)ccc2c1)c1ccc2cc(/N=N/c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C42H28N4/c1-3-7-33-25-39(19-15-31(33)5-1)43-45-41-21-17-35-23-29(11-13-37(35)27-41)9-10-30-12-14-38-28-42(22-18-36(38)24-30)46-44-40-20-16-32-6-2-4-8-34(32)26-40/h1-28H/b10-9?,45-43+,46-44+
InChIKeyHFOXICVNNWPDEQ-NCNAYMTLSA-N
MW588.71 g/mol
LogP13.30
Rot. Bonds6

About naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene

naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene (PubChem CID 72565674) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene.

Molecular Properties

Compound Namenaphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene
PubChem CID72565674
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Namenaphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene
SMILESC(=Cc1ccc2cc(/N=N/c3ccc4ccccc4c3)ccc2c1)c1ccc2cc(/N=N/c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C42H28N4/c1-3-7-33-25-39(19-15-31(33)5-1)43-45-41-21-17-35-23-29(11-13-37(35)27-41)9-10-30-12-14-38-28-42(22-18-36(38)24-30)46-44-40-20-16-32-6-2-4-8-34(32)26-40/h1-28H/b10-9?,45-43+,46-44+
InChIKeyHFOXICVNNWPDEQ-NCNAYMTLSA-N
XLogP13.30
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 513.30
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
naphthalen-2-yl-[4-[(E)-prop-1-enyl]phenyl]diazene
CID 58979901
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene
CID 59413225
2-naphthalen-2-ylethenol
CID 67195423
2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
CID 59156066
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
CID 58942119
2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
CID 54058053
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene?
The IUPAC name of naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene (CID 72565674) is naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene.
What is the SMILES notation for naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene?
The canonical SMILES for naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene is C(=Cc1ccc2cc(/N=N/c3ccc4ccccc4c3)ccc2c1)c1ccc2cc(/N=N/c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene?
The InChIKey is HFOXICVNNWPDEQ-NCNAYMTLSA-N. The full InChI is InChI=1S/C42H28N4/c1-3-7-33-25-39(19-15-31(33)5-1)43-45-41-21-17-35-23-29(11-13-37(35)27-41)9-10-30-12-14-38-28-42(22-18-36(38)24-30)46-44-40-20-16-32-6-2-4-8-34(32)26-40/h1-28H/b10-9?,45-43+,46-44+.
What are the key properties of naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene?
naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene has a molecular weight of 588.71 g/mol, XLogP of 13.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene is sourced from PubChem (CID 72565674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).