naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene

C27H19N5 — CID 173000934

IUPACnaphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene
SMILESc1ccc(/N=N/c2ccc(-c3cccc(/N=N/c4cccc5ccccc45)c3)cc2)nc1
InChIInChI=1S/C27H19N5/c1-2-11-25-21(7-1)8-6-12-26(25)31-30-24-10-5-9-22(19-24)20-14-16-23(17-15-20)29-32-27-13-3-4-18-28-27/h1-19H/b31-30+,32-29+
InChIKeyUHQSXBQOSHAFNK-JUVFNHDTSA-N
MW413.48 g/mol
LogP8.73
Rot. Bonds5

About naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene

naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene (PubChem CID 173000934) has the molecular formula C27H19N5 and a molecular weight of 413.48 g/mol. Its IUPAC name is naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene.

Molecular Properties

Compound Namenaphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene
PubChem CID173000934
Molecular FormulaC27H19N5
Molecular Weight413.48 g/mol
Exact Mass413.16
IUPAC Namenaphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene
SMILESc1ccc(/N=N/c2ccc(-c3cccc(/N=N/c4cccc5ccccc45)c3)cc2)nc1
InChIInChI=1S/C27H19N5/c1-2-11-25-21(7-1)8-6-12-26(25)31-30-24-10-5-9-22(19-24)20-14-16-23(17-15-20)29-32-27-13-3-4-18-28-27/h1-19H/b31-30+,32-29+
InChIKeyUHQSXBQOSHAFNK-JUVFNHDTSA-N
XLogP8.73
TPSA62.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
[3-diazenyl-2-(naphthalen-2-yldiazenyl)phenyl]-pyridin-2-yldiazene
CID 54379660
CID 175078571
CID 175078571
di(phenanthren-3-yl)diazene
CID 10786148
phenyl(quinolin-7-yl)diazene
CID 555553
(2-ethoxyphenyl)-pyridin-2-yldiazene
CID 122538186
N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide
CID 102057168
ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol
CID 136657550
(2,6-dichlorophenyl)-pyridin-2-yldiazene
CID 102225413
disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate
CID 2735125
8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde
CID 135404716
N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 59390674

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene?
The IUPAC name of naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene (CID 173000934) is naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene.
What is the SMILES notation for naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene?
The canonical SMILES for naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene is c1ccc(/N=N/c2ccc(-c3cccc(/N=N/c4cccc5ccccc45)c3)cc2)nc1.
What is the InChIKey of naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene?
The InChIKey is UHQSXBQOSHAFNK-JUVFNHDTSA-N. The full InChI is InChI=1S/C27H19N5/c1-2-11-25-21(7-1)8-6-12-26(25)31-30-24-10-5-9-22(19-24)20-14-16-23(17-15-20)29-32-27-13-3-4-18-28-27/h1-19H/b31-30+,32-29+.
What are the key properties of naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene?
naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene has a molecular weight of 413.48 g/mol, XLogP of 8.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene is sourced from PubChem (CID 173000934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).