(2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene

C30H23N7 — CID 136756427

IUPAC(2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene
SMILESCc1ccc(/N=N/c2c(-c3ccccc3)[nH]n3c(/N=N/c4ccccc4)c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C30H23N7/c1-21-17-19-25(20-18-21)32-34-28-26(22-11-5-2-6-12-22)36-37-29(28)31-27(23-13-7-3-8-14-23)30(37)35-33-24-15-9-4-10-16-24/h2-20,36H,1H3/b34-32+,35-33+
InChIKeyDTAWJTLXFOEEJC-XUXOKTBYSA-N
MW481.56 g/mol
LogP9.14
Rot. Bonds6

About (2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene

(2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene (PubChem CID 136756427) has the molecular formula C30H23N7 and a molecular weight of 481.56 g/mol. Its IUPAC name is (2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene.

Molecular Properties

Compound Name(2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene
PubChem CID136756427
Molecular FormulaC30H23N7
Molecular Weight481.56 g/mol
Exact Mass481.20
IUPAC Name(2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene
SMILESCc1ccc(/N=N/c2c(-c3ccccc3)[nH]n3c(/N=N/c4ccccc4)c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C30H23N7/c1-21-17-19-25(20-18-21)32-34-28-26(22-11-5-2-6-12-22)36-37-29(28)31-27(23-13-7-3-8-14-23)30(37)35-33-24-15-9-4-10-16-24/h2-20,36H,1H3/b34-32+,35-33+
InChIKeyDTAWJTLXFOEEJC-XUXOKTBYSA-N
XLogP9.14
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[7-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl]-phenyldiazene
CID 135923170
(2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene
CID 136756425
4-[[2-(4-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 163347408
2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
CID 3109349
6-[(4-methylphenyl)diazenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171349416
4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
CID 10689276
2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 158996329
3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135490301
bis(4-methylphenyl)diazene
CID 10389
2-[[4-[(4-methylphenyl)diazenyl]-3-phenyl-1,2-oxazol-5-yl]sulfanyl]-1-phenylethanone
CID 13171449
2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 57100935
3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761039

Frequently Asked Questions

What is the IUPAC name of (2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene?
The IUPAC name of (2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene (CID 136756427) is (2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene.
What is the SMILES notation for (2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene?
The canonical SMILES for (2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene is Cc1ccc(/N=N/c2c(-c3ccccc3)[nH]n3c(/N=N/c4ccccc4)c(-c4ccccc4)nc23)cc1.
What is the InChIKey of (2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene?
The InChIKey is DTAWJTLXFOEEJC-XUXOKTBYSA-N. The full InChI is InChI=1S/C30H23N7/c1-21-17-19-25(20-18-21)32-34-28-26(22-11-5-2-6-12-22)36-37-29(28)31-27(23-13-7-3-8-14-23)30(37)35-33-24-15-9-4-10-16-24/h2-20,36H,1H3/b34-32+,35-33+.
What are the key properties of (2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene?
(2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene has a molecular weight of 481.56 g/mol, XLogP of 9.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diphenyl-3-phenyldiazenyl-5H-imidazo[1,2-b]pyrazol-7-yl)-(4-methylphenyl)diazene is sourced from PubChem (CID 136756427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).