(2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene

C30H23N7O — CID 136756425

IUPAC(2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2c(-c3ccccc3)nn3c(/N=N/c4ccccc4)c(-c4ccccc4)[nH]c23)cc1
InChIInChI=1S/C30H23N7O/c1-38-25-19-17-24(18-20-25)32-34-28-26(21-11-5-2-6-12-21)36-37-29(28)31-27(22-13-7-3-8-14-22)30(37)35-33-23-15-9-4-10-16-23/h2-20,31H,1H3/b34-32+,35-33+
InChIKeyPFPZTAANYNHBJJ-XUXOKTBYSA-N
MW497.56 g/mol
LogP8.84
Rot. Bonds7

About (2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene

(2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene (PubChem CID 136756425) has the molecular formula C30H23N7O and a molecular weight of 497.56 g/mol. Its IUPAC name is (2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name(2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene
PubChem CID136756425
Molecular FormulaC30H23N7O
Molecular Weight497.56 g/mol
Exact Mass497.20
IUPAC Name(2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2c(-c3ccccc3)nn3c(/N=N/c4ccccc4)c(-c4ccccc4)[nH]c23)cc1
InChIInChI=1S/C30H23N7O/c1-38-25-19-17-24(18-20-25)32-34-28-26(21-11-5-2-6-12-21)36-37-29(28)31-27(22-13-7-3-8-14-22)30(37)35-33-23-15-9-4-10-16-23/h2-20,31H,1H3/b34-32+,35-33+
InChIKeyPFPZTAANYNHBJJ-XUXOKTBYSA-N
XLogP8.84
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene
CID 3280573
5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
CID 13492990
(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
CID 136721271
(2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene
CID 136756427
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
6-acetyl-2-amino-7-(4-methoxyphenyl)-3-phenyldiazenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136736135
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
4-[(3-methoxyphenyl)diazenyl]-5-methyl-3-phenylpyrazole-1-carbothioamide
CID 3971376
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
CID 132542480
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
CID 10689276

Frequently Asked Questions

What is the IUPAC name of (2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene?
The IUPAC name of (2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene (CID 136756425) is (2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene.
What is the SMILES notation for (2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene?
The canonical SMILES for (2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene is COc1ccc(/N=N/c2c(-c3ccccc3)nn3c(/N=N/c4ccccc4)c(-c4ccccc4)[nH]c23)cc1.
What is the InChIKey of (2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene?
The InChIKey is PFPZTAANYNHBJJ-XUXOKTBYSA-N. The full InChI is InChI=1S/C30H23N7O/c1-38-25-19-17-24(18-20-25)32-34-28-26(21-11-5-2-6-12-21)36-37-29(28)31-27(22-13-7-3-8-14-22)30(37)35-33-23-15-9-4-10-16-23/h2-20,31H,1H3/b34-32+,35-33+.
What are the key properties of (2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene?
(2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene has a molecular weight of 497.56 g/mol, XLogP of 8.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene is sourced from PubChem (CID 136756425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).