[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene

C50H40N10O2S3 — CID 139229545

IUPAC[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene
SMILESCc1nc(N2N=C(c3ccccc3)CC2c2ccccc2)sc1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N/c3sc(N4N=C(c5ccccc5)CC4c4ccccc4)nc3C)cc2)cc1
InChIInChI=1S/C50H40N10O2S3/c1-33-47(63-49(51-33)59-45(37-19-11-5-12-20-37)31-43(57-59)35-15-7-3-8-16-35)55-53-39-23-27-41(28-24-39)65(61,62)42-29-25-40(26-30-42)54-56-48-34(2)52-50(64-48)60-46(38-21-13-6-14-22-38)32-44(58-60)36-17-9-4-10-18-36/h3-30,45-46H,31-32H2,1-2H3/b55-53+,56-54+
InChIKeyAFDDPMMXYDBWAP-DSZBTAPASA-N
MW909.14 g/mol
LogP13.59
Rot. Bonds12

About [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene

[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene (PubChem CID 139229545) has the molecular formula C50H40N10O2S3 and a molecular weight of 909.14 g/mol. Its IUPAC name is [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene.

Molecular Properties

Compound Name[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene
PubChem CID139229545
Molecular FormulaC50H40N10O2S3
Molecular Weight909.14 g/mol
Exact Mass908.25
IUPAC Name[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene
SMILESCc1nc(N2N=C(c3ccccc3)CC2c2ccccc2)sc1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N/c3sc(N4N=C(c5ccccc5)CC4c4ccccc4)nc3C)cc2)cc1
InChIInChI=1S/C50H40N10O2S3/c1-33-47(63-49(51-33)59-45(37-19-11-5-12-20-37)31-43(57-59)35-15-7-3-8-16-35)55-53-39-23-27-41(28-24-39)65(61,62)42-29-25-40(26-30-42)54-56-48-34(2)52-50(64-48)60-46(38-21-13-6-14-22-38)32-44(58-60)36-17-9-4-10-18-36/h3-30,45-46H,31-32H2,1-2H3/b55-53+,56-54+
InChIKeyAFDDPMMXYDBWAP-DSZBTAPASA-N
XLogP13.59
TPSA140.56 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.14
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene?
The IUPAC name of [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene (CID 139229545) is [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene.
What is the SMILES notation for [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene?
The canonical SMILES for [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene is Cc1nc(N2N=C(c3ccccc3)CC2c2ccccc2)sc1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N/c3sc(N4N=C(c5ccccc5)CC4c4ccccc4)nc3C)cc2)cc1.
What is the InChIKey of [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene?
The InChIKey is AFDDPMMXYDBWAP-DSZBTAPASA-N. The full InChI is InChI=1S/C50H40N10O2S3/c1-33-47(63-49(51-33)59-45(37-19-11-5-12-20-37)31-43(57-59)35-15-7-3-8-16-35)55-53-39-23-27-41(28-24-39)65(61,62)42-29-25-40(26-30-42)54-56-48-34(2)52-50(64-48)60-46(38-21-13-6-14-22-38)32-44(58-60)36-17-9-4-10-18-36/h3-30,45-46H,31-32H2,1-2H3/b55-53+,56-54+.
What are the key properties of [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene?
[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene has a molecular weight of 909.14 g/mol, XLogP of 13.59, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-[4-[[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]sulfonylphenyl]diazene is sourced from PubChem (CID 139229545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).