(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene

C17H15N5O — CID 136721271

IUPAC(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
SMILESCOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)[nH]2)cc1
InChIInChI=1S/C17H15N5O/c1-23-15-9-7-14(8-10-15)20-22-17-12-11-16(18-17)21-19-13-5-3-2-4-6-13/h2-12,18H,1H3/b21-19+,22-20+
InChIKeyQSQAUEHRPUROMB-FLFKKZLDSA-N
MW305.34 g/mol
LogP5.85
Rot. Bonds5

About (4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene

(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene (PubChem CID 136721271) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is (4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
PubChem CID136721271
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
SMILESCOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)[nH]2)cc1
InChIInChI=1S/C17H15N5O/c1-23-15-9-7-14(8-10-15)20-22-17-12-11-16(18-17)21-19-13-5-3-2-4-6-13/h2-12,18H,1H3/b21-19+,22-20+
InChIKeyQSQAUEHRPUROMB-FLFKKZLDSA-N
XLogP5.85
TPSA74.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 55.85
H-Bond Donors ≤ 51
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-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
bis(2-[(4-methoxyphenyl)diazenyl]benzenethiolate);nickel(2+)
CID 171977429
[[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide
CID 142763484
(4-methoxyphenyl)-methyldiazene
CID 20589170
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
[(4-methoxyphenyl)-phenyldiazenylmethyl]-phenyldiazene
CID 54206769
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene
CID 3280573
1H-indol-3-yl-(4-methoxyphenyl)diazene
CID 136732360
(2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene
CID 136756425
(3-methoxyphenyl)-naphthalen-2-yldiazene
CID 581663
anisole;trihydrofluoride
CID 174796385

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene?
The IUPAC name of (4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene (CID 136721271) is (4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene.
What is the SMILES notation for (4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene?
The canonical SMILES for (4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene is COc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)[nH]2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene?
The InChIKey is QSQAUEHRPUROMB-FLFKKZLDSA-N. The full InChI is InChI=1S/C17H15N5O/c1-23-15-9-7-14(8-10-15)20-22-17-12-11-16(18-17)21-19-13-5-3-2-4-6-13/h2-12,18H,1H3/b21-19+,22-20+.
What are the key properties of (4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene?
(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene has a molecular weight of 305.34 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene is sourced from PubChem (CID 136721271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).